Basic information
- Name:
5'-Inosinic acid,2'-deoxy-
- CAS No.:
3393-18-8
- Molecular Structure:
- Formula:
- C10H13N4O7P
- Molecular Weight:
- 332.206581
- Synonyms:
- Inosine,2'-deoxy-, 5'-(dihydrogen phosphate) (8CI);Inosine, 2'-deoxy-, 5'-phosphate(7CI);2'-Deoxy-IMP;2'-Deoxyinosine 5'-monophosphate;
- EINECS:
- 222-237-0
- Density:
- 2.17 g/cm3
- Boiling Point:
- 804.6 °C at 760 mmHg
- Flash Point:
- 440.4 °C
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Specification
The CAS register number of 5'-Inosinic acid,2'-deoxy- is 3393-18-8. It also can be called as 2'-Deoxyinosine 5'-monophosphate and the systematic name about this chemical is 2'-deoxy-5'-inosinic acid. The molecular formula about this chemical is C10H13N4O7P and the molecular weight is 332.206581.
Physical properties about 5'-Inosinic acid,2'-deoxy- are: (1)ACD/LogP: -2.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.35; (4)ACD/LogD (pH 7.4): -6.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 123.52 Å2; (13)Index of Refraction: 1.844; (14)Molar Refractivity: 67.99 cm3; (15)Molar Volume: 152.8 cm3; (16)Polarizability: 26.95x10-24cm3; (17)Surface Tension: 122.3 dyne/cm; (18)Density: 2.17 g/cm3; (19)Flash Point: 440.4 °C; (20)Enthalpy of Vaporization: 122.66 kJ/mol; (21)Boiling Point: 804.6 °C at 760 mmHg; (22)Vapour Pressure: 2.5E-27 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3/N=C\Nc1c3ncn1[C@@H]2O[C@@H]([C@@H](O)C2)COP(=O)(O)O
(2)InChI: InChI=1/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
(3)InChIKey: PHNGFPPXDJJADG-RRKCRQDMBF
(4)Std. InChI: InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
(5)Std. InChIKey: PHNGFPPXDJJADG-RRKCRQDMSA-N
