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

C6H12O4 — CID 11412460

IUPAC(1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
SMILESOC[C@H]1[C@H](O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C6H12O4/c7-2-3-4(8)1-5(9)6(3)10/h3-10H,1-2H2/t3-,4+,5-,6+/m1/s1
InChIKeyKWAKQXVHPAXYRX-MOJAZDJTSA-N
MW148.16 g/mol
LogP-1.92
Rot. Bonds1

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

(1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol (PubChem CID 11412460) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol.

Molecular Properties

Compound Name(1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
PubChem CID11412460
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
SMILESOC[C@H]1[C@H](O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C6H12O4/c7-2-3-4(8)1-5(9)6(3)10/h3-10H,1-2H2/t3-,4+,5-,6+/m1/s1
InChIKeyKWAKQXVHPAXYRX-MOJAZDJTSA-N
XLogP-1.92
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol?
The IUPAC name of (1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol (CID 11412460) is (1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol.
What is the SMILES notation for (1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol?
The canonical SMILES for (1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol is OC[C@H]1[C@H](O)[C@H](O)C[C@@H]1O.
What is the InChIKey of (1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol?
The InChIKey is KWAKQXVHPAXYRX-MOJAZDJTSA-N. The full InChI is InChI=1S/C6H12O4/c7-2-3-4(8)1-5(9)6(3)10/h3-10H,1-2H2/t3-,4+,5-,6+/m1/s1.
What are the key properties of (1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol?
(1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol has a molecular weight of 148.16 g/mol, XLogP of -1.92, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol is sourced from PubChem (CID 11412460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).