C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-otu, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl) 7-methyl-, (2R,3 R,3aS,9aR) - (9CI, ACI)

ngwaahịa

C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-otu, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl) 7-methyl-, (2R,3 R,3aS,9aR) - (9CI, ACI)

Ozi bụ isi:


Nkọwa ngwaahịa

Mkpado ngwaahịa

Nkọwa ihe

Nọmba ndekọ CAS

22423-26-3

Njirimara anụ ahụ igodo Uru Ọnọdụ
Ibu molekụla 240.21 -
Ebe mgbaze (nnwale) 218 Celsius C Ihe mgbaze: ethanol; Isopropanol
Ebe a na-esi esi esi (buru amụma) 452.0±55.0C Pịa: 760 Torr
Njupụta (buru amụma) 1.88±0.1 g/cm3 Okpomọkụ: 20 °C; Pịa: 760 Torr
pKa (buru amụma) 12.56± 0.60 Okpomọkụ kachasị acidic: 25 Celsius

Aha ndị ọzọ na njirimara

Ọchịchị Canonical

O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO

Isomeric SMILES

O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C(C)=C3)(O[C@H]1CO)[H])[ H]

InChi

InChi= 1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5- 7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1

Igodo InChi

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Aha ndị ọzọ maka ihe a

(2R,3 R,3aS,9aR-2,3,3a,9a-Tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-6H-furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-otu (ACI);

6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-otu, 2,3,3a,9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl- (6CI, 7CI, 8CI); 6H- Furo

[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-otu, 2,3,3a,9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-, [2R(2α,3β,3aβ,9aβ)]- (ZCI);

11: PN: US20040014699 PEEJI: 18 kwuru DNA; 12: PN: US20040005565 PEEJI: 17- 22 kwuru DNA; 12: PN: US20040005570 PEEJI: 18 kwuru DNA; 12: PN: US20040006029 PEEJI: 21 kwuru DNA; 12: PN: US20040014051 PEEJI: 21 kwuru DNA; 1: PN: WO20050 06958 PEEJI: 59 kwuru DNA; 2,2 '-Anhydro (1- β-D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 PEEJI: 59 kwuru DNA; 84: PN: US20040005707 PEEJI: 18 kwuru DNA; 9: PN: US20040014048 PEEJI: 19 kwuru DNA; 9: PN: US20040014049 PEEJI: 19

DNA kwuru;O2,2 '-Anhydro-5-methyluridine; O2,2′-Anhydro-5-methyluridine; TK 112690

Njirimara nnwale

Ngwongwo dị
Thermal

Thermal

Ngwongwo Uru Ọnọdụ Isi mmalite
Ebe Na-agbaze 240-242 Celsius C (1) CAS
Ebe Na-agbaze 218 Celsius C Ihe mgbaze: ethanol; Isopropanol (2) CAS
Ebe Na-agbaze Lee ederede zuru oke (3) CAS
Ebe Na-agbaze Lee ederede zuru oke (4) CAS

(1) Oliveira, Maralise P.; Akwụkwọ akụkọ nke Brazil Chemical Society, (2015), 26(4), 816-821, CAplus

(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25 (7), 719-734, CAplus

(3) Manoharan, Muthiah; US20030088079, A1, 2003, CAplus

(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus

Spectra nnwale

Spectra dị
1H NMR
13C NMR
Hetero NMR
Mass

Njirimara amụma

Ngwongwo dị
Usoro ndu
Chemical
Njupụta
Lipinski
Ọdịdị metụtara
Thermal

Usoro ndu

Ngwongwo Uru Ọnọdụ Isi mmalite
Ihe kpatara bioconcentration 1.0 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.0 pH 10; Okpomọkụ: 25 Celsius C (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Ngwongwo Uru Ọnọdụ Isi mmalite
Koc 12.9 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12.9 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12.9 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12.9 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12.9 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12.9 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12.9 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12.9 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12.9 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12.9 pH 10; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.49 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.49 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.49 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.49 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.49 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.49 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.49 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.49 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.49 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
logD -0.49 pH 10; Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
logP -0.491±0.556 Okpomọkụ: 25 Celsius C (1) ACD
Ọkachamara Solubility dị n'ime 3.1 g/L Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 g/L pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 g/L pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 g/L pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 g/L pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 g/L pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 g/L pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 g/L pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 g/L pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 g/L pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 g/L pH 10; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 g/L Mmiri na-enweghị atụ pH 6.94; Okpomọkụ: 25 Celsius C (1) ACD
Solubility dị n'ime Molar 0.013 mol / l Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.013 mol / l pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.013 mol / l pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.013 mol / l pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.013 mol / l pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.013 mol / l pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.013 mol / l pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.013 mol / l pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.013 mol / l pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.013 mol / l pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.013 mol / l pH 10; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 0.013 mol / l Mmiri na-enweghị atụ pH 6.94; Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 240.21    
pKa 12.56± 0.60 Okpomọkụ kachasị acidic: 25 Celsius (1) ACD
pKa -4.36±0.60 Okpomọkụ kachasị mma: 25 Celsius (1) ACD
Uzuoku Nrụgide 4.54 x 10-10 Torr Okpomọkụ: 25 Celsius C (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ngwongwo Uru Ọnọdụ Isi mmalite
Njupụta 1.88±0.1 g/cm3 Okpomọkụ: 20 °C; Pịa: 760 Torr (1) ACD
Olu Molar 127.5± 7.0 cm3 / mol Okpomọkụ: 20 °C; Pịa: 760 Torr (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ngwongwo Uru Ọnọdụ Isi mmalite
Nkwekọrịta na-agbanwe agbanwe n'efu 3   (1) ACD
H Ndị nnabata 7   (1) ACD
H Ndị na-enye onyinye 2   (1) ACD
H Donor/Anabata Nchikota 9   (1) ACD
logP -0.491±0.556 Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 240.21    

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ọdịdị metụtara

Ngwongwo Uru Isi mmalite ọnọdụ
Mpaghara elu elu 91.6 A2 (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Thermal

Ngwongwo Uru Ọnọdụ Isi mmalite
Ebe esi nri 452.0±55.0C Pịa: 760 Torr (1) ACD
Enthalpy nke Vaporization 82.04± 6.0 kJ/mol Pịa: 760 Torr (1) ACD
Ebe mgbari 227.2±31.5C   (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra buru amụma

Spectra dị
1H NMR
13C NMR


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