(2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

C10H10Cl2N4O3 — CID 88905234

IUPAC(2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1OC(n2cnc3nc(Cl)nc(Cl)c32)C[C@@H]1O
InChIInChI=1S/C10H10Cl2N4O3/c11-8-7-9(15-10(12)14-8)13-3-16(7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2/t4-,5+,6?/m0/s1
InChIKeyOHXVWDUBRVVBRZ-YRZWDFBDSA-N
MW305.12 g/mol
LogP0.77
Rot. Bonds2

About (2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 88905234) has the molecular formula C10H10Cl2N4O3 and a molecular weight of 305.12 g/mol. Its IUPAC name is (2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID88905234
Molecular FormulaC10H10Cl2N4O3
Molecular Weight305.12 g/mol
Exact Mass304.01
IUPAC Name(2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1OC(n2cnc3nc(Cl)nc(Cl)c32)C[C@@H]1O
InChIInChI=1S/C10H10Cl2N4O3/c11-8-7-9(15-10(12)14-8)13-3-16(7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2/t4-,5+,6?/m0/s1
InChIKeyOHXVWDUBRVVBRZ-YRZWDFBDSA-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

7-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135692532
(2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 20591849
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
[(2R,3S,5S)-5-(2,6-dichloropurin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 22839121
(2R,3S,5S)-5-(2-aminopurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 102301563
(2S,3R,5R)-5-(2,8-dichloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921447
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
(2S,3R,5S)-5-[6-chloro-2-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 87921719
(2R,3S,5R)-5-[6-(butylamino)-2-chloropurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 10042975
(2R,3S,5R)-5-(4-amino-7-methylimidazo[4,5-c]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10934328
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)-1,3,5-triazin-2-one
CID 123274852

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 88905234) is (2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1OC(n2cnc3nc(Cl)nc(Cl)c32)C[C@@H]1O.
What is the InChIKey of (2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is OHXVWDUBRVVBRZ-YRZWDFBDSA-N. The full InChI is InChI=1S/C10H10Cl2N4O3/c11-8-7-9(15-10(12)14-8)13-3-16(7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2/t4-,5+,6?/m0/s1.
What are the key properties of (2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S)-5-(2,6-dichloropurin-7-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 (2R,3S)-5-(2,6-dichloropurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 88905234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).