(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol

C11H15N5O5 — CID 70184570

IUPAC(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Nc2ncnc3nc[nH]c23)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15N5O5/c17-1-4-6(18)7(19)8(20)11(21-4)16-10-5-9(13-2-12-5)14-3-15-10/h2-4,6-8,11,17-20H,1H2,(H2,12,13,14,15,16)/t4-,6-,7+,8+,11-/m1/s1
InChIKeyIQLWALDCMITDNX-RMBFFGPGSA-N
MW297.27 g/mol
LogP-2.44
Rot. Bonds3

About (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol

(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol (PubChem CID 70184570) has the molecular formula C11H15N5O5 and a molecular weight of 297.27 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol
PubChem CID70184570
Molecular FormulaC11H15N5O5
Molecular Weight297.27 g/mol
Exact Mass297.11
IUPAC Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Nc2ncnc3nc[nH]c23)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15N5O5/c17-1-4-6(18)7(19)8(20)11(21-4)16-10-5-9(13-2-12-5)14-3-15-10/h2-4,6-8,11,17-20H,1H2,(H2,12,13,14,15,16)/t4-,6-,7+,8+,11-/m1/s1
InChIKeyIQLWALDCMITDNX-RMBFFGPGSA-N
XLogP-2.44
TPSA156.64 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.27
LogP ≤ 5-2.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol with MolForge

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Related Compounds

N-[2-[[(2R,3R,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]dodecanamide
CID 21144693
N-[2-[[(2R,3R,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]hexadecanamide
CID 21144716
(2S,3R)-2-amino-N-[(2R,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxan-3-yl]-3-(4-hydroxyphenyl)butanamide
CID 176999426
(2S,3R)-2-amino-3-hydroxy-N-[(2R,3R,5S,6S)-5-hydroxy-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxan-3-yl]butanamide
CID 176998983
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[[8-(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]oxolane-3,4-diol
CID 14444273
(3R)-N-[(2R,3R,5S,6S)-5-hydroxy-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxan-3-yl]-1-methylpyrrolidine-3-carboxamide
CID 176999627
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
(7H-purin-6-ylamino)methanol
CID 86209273
N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide;7H-purin-6-amine
CID 175045440
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol
CID 57224028
(2R,3S)-N-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-2-methyl-6-(7H-purin-6-ylamino)oxan-3-yl]-3-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 176998979
N-[2-[[(2R,3S,4S,5S,6R)-4,5-dihydroxy-2-methyl-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]dodecanamide
CID 10625778

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol (CID 70184570) is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol is OC[C@H]1O[C@@H](Nc2ncnc3nc[nH]c23)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol?
The InChIKey is IQLWALDCMITDNX-RMBFFGPGSA-N. The full InChI is InChI=1S/C11H15N5O5/c17-1-4-6(18)7(19)8(20)11(21-4)16-10-5-9(13-2-12-5)14-3-15-10/h2-4,6-8,11,17-20H,1H2,(H2,12,13,14,15,16)/t4-,6-,7+,8+,11-/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol?
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol has a molecular weight of 297.27 g/mol, XLogP of -2.44, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol is sourced from PubChem (CID 70184570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).