(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol

C10H13N5O4 — CID 135456222

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol
SMILES[H]/N=c1\ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c12
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-5)15(3-14-8)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10-11,16-18H,1H2,(H,12,13)/b11-8-/t4-,6-,7-,10-/m1/s1
InChIKeyNVQJZNAROPEJPJ-FTZRPBSNSA-N
MW267.25 g/mol
LogP-2.15
Rot. Bonds2

About (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol (PubChem CID 135456222) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol
PubChem CID135456222
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol
SMILES[H]/N=c1\ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c12
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-5)15(3-14-8)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10-11,16-18H,1H2,(H,12,13)/b11-8-/t4-,6-,7-,10-/m1/s1
InChIKeyNVQJZNAROPEJPJ-FTZRPBSNSA-N
XLogP-2.15
TPSA140.27 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-2.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol (CID 135456222) is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol is [H]/N=c1\ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c12.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol?
The InChIKey is NVQJZNAROPEJPJ-FTZRPBSNSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-5)15(3-14-8)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10-11,16-18H,1H2,(H,12,13)/b11-8-/t4-,6-,7-,10-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol has a molecular weight of 267.25 g/mol, XLogP of -2.15, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-3-yl)oxolane-3,4-diol is sourced from PubChem (CID 135456222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).