Identification and Related Records
- 【CAS Registry number】
- 961-07-9
- 【Synonyms】
-
2'-Deoxyguanosine
9H-Purin-6-ol, 2-amino-9-(2-deoxy-9-beta-D-ribofuranosyl)-
Guanine deoxyriboside
- 【EINECS(EC#)】
- 213-505-8
- 【Molecular Formula】
- C10H13N5O4 (Products with the same molecular formula)
- 【Inchi】
- InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6-/m0/s1
961-07-9.mol
Chemical and Physical Properties
- 【Computed Properties】
- Molecular Weight:267.24132 [g/mol]
Molecular Formula:C10H13N5O4
XLogP3:-1.3
H-Bond Donor:4
H-Bond Acceptor:4
Rotatable Bond Count:2
Tautomer Count:9
Exact Mass:267.096754
MonoIsotopic Mass:267.096754
Topological Polar Surface Area:135
Heavy Atom Count:19
Formal Charge:0
Complexity:417
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:5
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:23