chempirical

3'-Deoxyguanosine

C10H13N5O4CAS 3608-58-0267.24 g/mol

Open in Covalent MOL file
OOHNNNHNONH2HO
AlcoholEtherPrimary amine

Properties

Molecular formula
C10H13N5O4
Molar mass
267.24 g/mol
Exact mass
267.0968 Da
logP
-1.66Crippen estimate
Polar surface area
139.3 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
2
Stereocentres
S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3608-58-0
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=C(NC3=O)N)CO
InChIKey
OROIAVZITJBGSM-OBXARNEKSA-N
InChI
InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 3-Deoxyguanosine

Work with 3'-Deoxyguanosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2'-Deoxy-2'-fluoroguanosine78842-13-464 % similar (1R,3R,4R)-Entecavir1367369-76-361 % similar 2-Amino-9-((1S,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one1367369-77-461 % similar (1'S,3'S,4'S)-Entecavir isomer1367369-80-961 % similar 2-Amino-9-((1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one188399-46-461 % similar Cordycepin73-03-059 % similar 2'-Gmp12237-24-058 % similar 3'-O-(2-Methoxyethyl)guanosine256224-03-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Azidothymidine30516-87-1 2-Aminopurine riboside4546-54-7 Vidarabine5536-17-4 Adenosine58-61-7 Deoxyguanosine961-07-9

Elsewhere

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