(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol

C10H13N5O4 — CID 67235799

IUPAC(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2[C@@]1(O)[C@H](O)CO[C@@H]1CO
InChIInChI=1S/C10H13N5O4/c11-8-7-9(13-3-12-8)15(4-14-7)10(18)5(17)2-19-6(10)1-16/h3-6,16-18H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1
InChIKeyHPKHNAJRMPXWEP-OXOINMOOSA-N
MW267.24 g/mol
LogP-2.19
Rot. Bonds2

About (2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 67235799) has the molecular formula C10H13N5O4 and a molecular weight of 267.24 g/mol. Its IUPAC name is (2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
PubChem CID67235799
Molecular FormulaC10H13N5O4
Molecular Weight267.24 g/mol
Exact Mass267.10
IUPAC Name(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2[C@@]1(O)[C@H](O)CO[C@@H]1CO
InChIInChI=1S/C10H13N5O4/c11-8-7-9(13-3-12-8)15(4-14-7)10(18)5(17)2-19-6(10)1-16/h3-6,16-18H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1
InChIKeyHPKHNAJRMPXWEP-OXOINMOOSA-N
XLogP-2.19
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3R,4S,5S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 67217085
(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol
CID 145088486
1-[(3R,4S,5R)-4-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-methylpropan-1-one
CID 57270283
(2R,3R,4R,5R)-2-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxane-3,4,5-triol
CID 139896147
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 3009858
1-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 140969390
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
CID 10611714
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-dihydroxyphosphinothioyloxy-2-fluoro-5-(hydroxymethyl)oxolan-3-ol
CID 175706702
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
CID 23358719
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-chloromethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154422167

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol (CID 67235799) is (2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol is Nc1ncnc2c1ncn2[C@@]1(O)[C@H](O)CO[C@@H]1CO.
What is the InChIKey of (2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is HPKHNAJRMPXWEP-OXOINMOOSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-8-7-9(13-3-12-8)15(4-14-7)10(18)5(17)2-19-6(10)1-16/h3-6,16-18H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1.
What are the key properties of (2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 267.24 g/mol, XLogP of -2.19, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 67235799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).