(2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

C10H10Cl2N4O3 — CID 87921447

IUPAC(2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@@H]1O[C@@H](n2c(Cl)nc3cnc(Cl)nc32)C[C@H]1O
InChIInChI=1S/C10H10Cl2N4O3/c11-9-13-2-4-8(15-9)16(10(12)14-4)7-1-5(18)6(3-17)19-7/h2,5-7,17-18H,1,3H2/t5-,6+,7-/m1/s1
InChIKeyGZRGBUJUHRVLLY-DSYKOEDSSA-N
MW305.12 g/mol
LogP0.77
Rot. Bonds2

About (2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

(2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 87921447) has the molecular formula C10H10Cl2N4O3 and a molecular weight of 305.12 g/mol. Its IUPAC name is (2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID87921447
Molecular FormulaC10H10Cl2N4O3
Molecular Weight305.12 g/mol
Exact Mass304.01
IUPAC Name(2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@@H]1O[C@@H](n2c(Cl)nc3cnc(Cl)nc32)C[C@H]1O
InChIInChI=1S/C10H10Cl2N4O3/c11-9-13-2-4-8(15-9)16(10(12)14-4)7-1-5(18)6(3-17)19-7/h2,5-7,17-18H,1,3H2/t5-,6+,7-/m1/s1
InChIKeyGZRGBUJUHRVLLY-DSYKOEDSSA-N
XLogP0.77
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S)-2-(hydroxymethyl)-5-(2,6,8-trichloropurin-1-yl)oxolan-3-ol
CID 91036147
2,8-dichloro-9-cyclopentylpurine
CID 54445306
(2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 88905234
(2S,3R,5S)-5-(8-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921648
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
(2R,3S,5R)-5-[6-(butylamino)-2-chloropurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 10042975
(2S,3R,5S)-5-[6-chloro-2-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 87921719
(2R,3S,5R)-5-[5,6-dichloro-2-(cyclopentylamino)benzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 101029688
(2R,5R)-5-(6-benzylsulfanyl-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 176792273
5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154718024
(2R,3S,5R)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10933976

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 87921447) is (2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is OC[C@@H]1O[C@@H](n2c(Cl)nc3cnc(Cl)nc32)C[C@H]1O.
What is the InChIKey of (2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is GZRGBUJUHRVLLY-DSYKOEDSSA-N. The full InChI is InChI=1S/C10H10Cl2N4O3/c11-9-13-2-4-8(15-9)16(10(12)14-4)7-1-5(18)6(3-17)19-7/h2,5-7,17-18H,1,3H2/t5-,6+,7-/m1/s1.
What are the key properties of (2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 305.12 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 87921447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).