(2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol

C12H24O8 — CID 58747771

IUPAC(2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol
SMILESOC[C@H]1[C@H](C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H24O8/c13-3-6-5(1-7(15)10(6)18)2-8(16)11(19)12(20)9(17)4-14/h5-20H,1-4H2/t5-,6-,7+,8-,9+,10+,11+,12+/m0/s1
InChIKeyKRTJLPGZEVTTKO-UXHKCOPZSA-N
MW296.32 g/mol
LogP-3.84
Rot. Bonds7

About (2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol (PubChem CID 58747771) has the molecular formula C12H24O8 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol
PubChem CID58747771
Molecular FormulaC12H24O8
Molecular Weight296.32 g/mol
Exact Mass296.15
IUPAC Name(2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol
SMILESOC[C@H]1[C@H](C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H24O8/c13-3-6-5(1-7(15)10(6)18)2-8(16)11(19)12(20)9(17)4-14/h5-20H,1-4H2/t5-,6-,7+,8-,9+,10+,11+,12+/m0/s1
InChIKeyKRTJLPGZEVTTKO-UXHKCOPZSA-N
XLogP-3.84
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.32
LogP ≤ 5-3.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol with MolForge

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Related Compounds

(2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol
CID 70666082
[(2S,3R,4R,5R)-1-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]-2,4,5,6-tetrahydroxyhexan-3-yl] sulfate
CID 58747851
bis(cyclohexane-1,2,3,4,5,6-hexol);hexane-1,2,3,4,5,6-hexol
CID 159403758
(1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
CID 11412460
alumane;(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;hydrate
CID 173000212
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
calcium;hexane-1,2,3,4,5,6-hexol;dichloride;dihydrate
CID 175024870
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol
CID 154641569
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol (CID 58747771) is (2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol is OC[C@H]1[C@H](C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol?
The InChIKey is KRTJLPGZEVTTKO-UXHKCOPZSA-N. The full InChI is InChI=1S/C12H24O8/c13-3-6-5(1-7(15)10(6)18)2-8(16)11(19)12(20)9(17)4-14/h5-20H,1-4H2/t5-,6-,7+,8-,9+,10+,11+,12+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol has a molecular weight of 296.32 g/mol, XLogP of -3.84, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 58747771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).