cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol

C6H12O3 — CID 118727041

IUPACcis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol
SMILESOC[C@H]1CC(O)C[C@@H]1O
InChIInChI=1S/C6H12O3/c7-3-4-1-5(8)2-6(4)9/h4-9H,1-3H2/t4-,5?,6+/m1/s1
InChIKeyHXUPUZHHZBLALZ-QBQQJPCDSA-N
MW132.16 g/mol
LogP-0.89
Rot. Bonds1

About cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol

cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol (PubChem CID 118727041) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol.

Molecular Properties

Compound Namecis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol
PubChem CID118727041
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namecis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol
SMILESOC[C@H]1CC(O)C[C@@H]1O
InChIInChI=1S/C6H12O3/c7-3-4-1-5(8)2-6(4)9/h4-9H,1-3H2/t4-,5?,6+/m1/s1
InChIKeyHXUPUZHHZBLALZ-QBQQJPCDSA-N
XLogP-0.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol?
The IUPAC name of cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol (CID 118727041) is cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol.
What is the SMILES notation for cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol?
The canonical SMILES for cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol is OC[C@H]1CC(O)C[C@@H]1O.
What is the InChIKey of cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol?
The InChIKey is HXUPUZHHZBLALZ-QBQQJPCDSA-N. The full InChI is InChI=1S/C6H12O3/c7-3-4-1-5(8)2-6(4)9/h4-9H,1-3H2/t4-,5?,6+/m1/s1.
What are the key properties of cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol?
cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol has a molecular weight of 132.16 g/mol, XLogP of -0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol is sourced from PubChem (CID 118727041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).