(2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C11H19N5O4 — CID 137231164

IUPAC(2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC1N=C(N)C2=C(N1)N([C@@H]1O[C@H](CO)C(O)C1O)CN2
InChIInChI=1S/C11H19N5O4/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(19)7(18)5(2-17)20-11/h4-5,7-8,11,13,15,17-19H,2-3H2,1H3,(H2,12,14)/t4?,5-,7?,8?,11-/m1/s1
InChIKeyOIIDRMNCKAORCD-ZSVKBEIKSA-N
MW285.30 g/mol
LogP-3.24
Rot. Bonds2

About (2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 137231164) has the molecular formula C11H19N5O4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID137231164
Molecular FormulaC11H19N5O4
Molecular Weight285.30 g/mol
Exact Mass285.14
IUPAC Name(2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC1N=C(N)C2=C(N1)N([C@@H]1O[C@H](CO)C(O)C1O)CN2
InChIInChI=1S/C11H19N5O4/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(19)7(18)5(2-17)20-11/h4-5,7-8,11,13,15,17-19H,2-3H2,1H3,(H2,12,14)/t4?,5-,7?,8?,11-/m1/s1
InChIKeyOIIDRMNCKAORCD-ZSVKBEIKSA-N
XLogP-3.24
TPSA135.60 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.30
LogP ≤ 5-3.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 137231164) is (2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is CC1N=C(N)C2=C(N1)N([C@@H]1O[C@H](CO)C(O)C1O)CN2.
What is the InChIKey of (2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is OIIDRMNCKAORCD-ZSVKBEIKSA-N. The full InChI is InChI=1S/C11H19N5O4/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(19)7(18)5(2-17)20-11/h4-5,7-8,11,13,15,17-19H,2-3H2,1H3,(H2,12,14)/t4?,5-,7?,8?,11-/m1/s1.
What are the key properties of (2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 285.30 g/mol, XLogP of -3.24, 2 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 137231164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).