(1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol

C7H14O5 — CID 10535305

IUPAC(1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol
SMILESOCCC1[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O5/c8-2-1-3-4(9)6(11)7(12)5(3)10/h3-12H,1-2H2/t3?,4-,5+,6-,7-/m0/s1
InChIKeyFYXFGIXTJVRXDU-JXUVCOMLSA-N
MW178.18 g/mol
LogP-2.56
Rot. Bonds2

About (1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol

(1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol (PubChem CID 10535305) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol
PubChem CID10535305
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol
SMILESOCCC1[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O5/c8-2-1-3-4(9)6(11)7(12)5(3)10/h3-12H,1-2H2/t3?,4-,5+,6-,7-/m0/s1
InChIKeyFYXFGIXTJVRXDU-JXUVCOMLSA-N
XLogP-2.56
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
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(3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
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2-(2-ethyl-3-methylcyclopropyl)ethanol
CID 91526803
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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol?
The IUPAC name of (1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol (CID 10535305) is (1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol is OCCC1[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol?
The InChIKey is FYXFGIXTJVRXDU-JXUVCOMLSA-N. The full InChI is InChI=1S/C7H14O5/c8-2-1-3-4(9)6(11)7(12)5(3)10/h3-12H,1-2H2/t3?,4-,5+,6-,7-/m0/s1.
What are the key properties of (1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol?
(1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol has a molecular weight of 178.18 g/mol, XLogP of -2.56, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol is sourced from PubChem (CID 10535305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).