(2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol

C10H11BrN4O3 — CID 91292674

IUPAC(2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1OC(n2cnc3nc(Br)nc-3c2)C[C@@H]1O
InChIInChI=1S/C10H11BrN4O3/c11-10-13-5-2-15(4-12-9(5)14-10)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2/t6-,7+,8?/m0/s1
InChIKeyGGDOFUQSEYHPND-KJFJCRTCSA-N
MW315.13 g/mol
LogP0.18
Rot. Bonds2

About (2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 91292674) has the molecular formula C10H11BrN4O3 and a molecular weight of 315.13 g/mol. Its IUPAC name is (2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID91292674
Molecular FormulaC10H11BrN4O3
Molecular Weight315.13 g/mol
Exact Mass314.00
IUPAC Name(2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1OC(n2cnc3nc(Br)nc-3c2)C[C@@H]1O
InChIInChI=1S/C10H11BrN4O3/c11-10-13-5-2-15(4-12-9(5)14-10)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2/t6-,7+,8?/m0/s1
InChIKeyGGDOFUQSEYHPND-KJFJCRTCSA-N
XLogP0.18
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
CID 67312306
(2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 102307356
(2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 132564643
(2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol
CID 90781807
(2S,3R,5R)-5-(2-bromo-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921806
(2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol
CID 101024789
(2R,3S)-5-(6-fluoropurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90951411
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,5R)-5-(6,8-dibromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921424
(2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 101413495
6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methylimidazo[1,2-c]pyrimidin-5-one
CID 135393654
(2R,3S,5S)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 42531062

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 91292674) is (2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1OC(n2cnc3nc(Br)nc-3c2)C[C@@H]1O.
What is the InChIKey of (2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is GGDOFUQSEYHPND-KJFJCRTCSA-N. The full InChI is InChI=1S/C10H11BrN4O3/c11-10-13-5-2-15(4-12-9(5)14-10)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2/t6-,7+,8?/m0/s1.
What are the key properties of (2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 315.13 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 91292674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).