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

C14H28O8 — CID 70666082

IUPAC(2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol
SMILESCC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CC1C[C@@H](O)C(O)[C@H]1CO
InChIInChI=1S/C14H28O8/c1-2-8(16)12(20)14(22)13(21)10(18)4-6-3-9(17)11(19)7(6)5-15/h6-22H,2-5H2,1H3/t6?,7-,8-,9+,10+,11?,12+,13+,14+/m0/s1
InChIKeyCIGLIQHCQLECNN-IMTWXQNXSA-N
MW324.37 g/mol
LogP-3.06
Rot. Bonds8

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

(2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol (PubChem CID 70666082) has the molecular formula C14H28O8 and a molecular weight of 324.37 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol
PubChem CID70666082
Molecular FormulaC14H28O8
Molecular Weight324.37 g/mol
Exact Mass324.18
IUPAC Name(2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol
SMILESCC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CC1C[C@@H](O)C(O)[C@H]1CO
InChIInChI=1S/C14H28O8/c1-2-8(16)12(20)14(22)13(21)10(18)4-6-3-9(17)11(19)7(6)5-15/h6-22H,2-5H2,1H3/t6?,7-,8-,9+,10+,11?,12+,13+,14+/m0/s1
InChIKeyCIGLIQHCQLECNN-IMTWXQNXSA-N
XLogP-3.06
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.37
LogP ≤ 5-3.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol?
The IUPAC name of (2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol (CID 70666082) is (2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol?
The canonical SMILES for (2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol is CC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CC1C[C@@H](O)C(O)[C@H]1CO.
What is the InChIKey of (2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol?
The InChIKey is CIGLIQHCQLECNN-IMTWXQNXSA-N. The full InChI is InChI=1S/C14H28O8/c1-2-8(16)12(20)14(22)13(21)10(18)4-6-3-9(17)11(19)7(6)5-15/h6-22H,2-5H2,1H3/t6?,7-,8-,9+,10+,11?,12+,13+,14+/m0/s1.
What are the key properties of (2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol?
(2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol has a molecular weight of 324.37 g/mol, XLogP of -3.06, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-1-[(2R,4R)-3,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]octane-2,3,4,5,6-pentol is sourced from PubChem (CID 70666082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).