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

C6H12O4 — CID 10920662

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

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

(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol (PubChem CID 10920662) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol.

Molecular Properties

Compound Name(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
PubChem CID10920662
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
SMILESOC[C@H]1C[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4/c7-2-3-1-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4+,5-,6+/m1/s1
InChIKeyPHKHGSSZAJVEQK-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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Related Compounds

(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 171920949
(1R,2R,3R,4S)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 6102431
(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol
CID 59933789
[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium
CID 40566342
(1R,2S,3R,4R,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 10397334
CID 140504974
CID 140504974
CID 59892756
CID 59892756
(2R,3S,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 89082502
(1R,2S,3R,4R,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 159801457

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol?
The IUPAC name of (1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol (CID 10920662) is (1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol.
What is the SMILES notation for (1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol?
The canonical SMILES for (1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol is OC[C@H]1C[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol?
The InChIKey is PHKHGSSZAJVEQK-MOJAZDJTSA-N. The full InChI is InChI=1S/C6H12O4/c7-2-3-1-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4+,5-,6+/m1/s1.
What are the key properties of (1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol?
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-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 (1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol is sourced from PubChem (CID 10920662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).