(1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol

C6H10O4 — CID 10909700

IUPAC(1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol
SMILESOCC1=C[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H10O4/c7-2-3-1-4(8)6(10)5(3)9/h1,4-10H,2H2/t4-,5+,6-/m0/s1
InChIKeyASUGCSTWKLTCSR-JKUQZMGJSA-N
MW146.14 g/mol
LogP-2.00
Rot. Bonds1

About (1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol

(1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol (PubChem CID 10909700) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol.

Molecular Properties

Compound Name(1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol
PubChem CID10909700
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol
SMILESOCC1=C[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H10O4/c7-2-3-1-4(8)6(10)5(3)9/h1,4-10H,2H2/t4-,5+,6-/m0/s1
InChIKeyASUGCSTWKLTCSR-JKUQZMGJSA-N
XLogP-2.00
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol?
The IUPAC name of (1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol (CID 10909700) is (1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol.
What is the SMILES notation for (1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol?
The canonical SMILES for (1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol is OCC1=C[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol?
The InChIKey is ASUGCSTWKLTCSR-JKUQZMGJSA-N. The full InChI is InChI=1S/C6H10O4/c7-2-3-1-4(8)6(10)5(3)9/h1,4-10H,2H2/t4-,5+,6-/m0/s1.
What are the key properties of (1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol?
(1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol has a molecular weight of 146.14 g/mol, XLogP of -2.00, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-4-(hydroxymethyl)cyclopent-4-ene-1,2,3-triol is sourced from PubChem (CID 10909700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).