(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol

C14H28O5 — CID 58700556

IUPAC(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol
SMILESCCC[C@H](O)CC[C@@H]1[C@@H](CC(O)CO)[C@@H](O)C[C@H]1O
InChIInChI=1S/C14H28O5/c1-2-3-9(16)4-5-11-12(6-10(17)8-15)14(19)7-13(11)18/h9-19H,2-8H2,1H3/t9-,10?,11+,12+,13+,14-/m0/s1
InChIKeyJTBDIKZQUSXCLD-NJAURPNDSA-N
MW276.37 g/mol
LogP0.03
Rot. Bonds8

About (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol

(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol (PubChem CID 58700556) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol.

Molecular Properties

Compound Name(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol
PubChem CID58700556
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol
SMILESCCC[C@H](O)CC[C@@H]1[C@@H](CC(O)CO)[C@@H](O)C[C@H]1O
InChIInChI=1S/C14H28O5/c1-2-3-9(16)4-5-11-12(6-10(17)8-15)14(19)7-13(11)18/h9-19H,2-8H2,1H3/t9-,10?,11+,12+,13+,14-/m0/s1
InChIKeyJTBDIKZQUSXCLD-NJAURPNDSA-N
XLogP0.03
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 50.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol with MolForge

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Related Compounds

2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde
CID 22822598
(1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol
CID 143063579
(1S,3R,4R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-propylcyclopentane-1,3-diol
CID 129205006
(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol
CID 143063591
3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol
CID 21057340
6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid
CID 22985834
4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol
CID 20670097
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxydecyl]cyclopentyl]hept-5-enoic acid
CID 70827516
4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol
CID 91525648
1-(3,5-dimethylcyclohexyl)hexan-3-ol
CID 64730162
4-(3-hydroxyhexyl)cyclohexan-1-ol
CID 71198089
4-(2-hydroxybutyl)-5-(7-hydroxyhept-6-enyl)cyclopentane-1,3-diol
CID 70115858

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol?
The IUPAC name of (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol (CID 58700556) is (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol.
What is the SMILES notation for (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol?
The canonical SMILES for (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol is CCC[C@H](O)CC[C@@H]1[C@@H](CC(O)CO)[C@@H](O)C[C@H]1O.
What is the InChIKey of (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol?
The InChIKey is JTBDIKZQUSXCLD-NJAURPNDSA-N. The full InChI is InChI=1S/C14H28O5/c1-2-3-9(16)4-5-11-12(6-10(17)8-15)14(19)7-13(11)18/h9-19H,2-8H2,1H3/t9-,10?,11+,12+,13+,14-/m0/s1.
What are the key properties of (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol?
(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol has a molecular weight of 276.37 g/mol, XLogP of 0.03, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol is sourced from PubChem (CID 58700556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).