[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol

C9H18O4 — CID 131848681

IUPAC[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol
SMILESOC[C@H]1C[C@H](CO)[C@@H](CO)[C@@H]1CO
InChIInChI=1S/C9H18O4/c10-2-6-1-7(3-11)9(5-13)8(6)4-12/h6-13H,1-5H2/t6-,7-,8-,9-/m1/s1
InChIKeyUBHWOTAUDZDMRM-FNCVBFRFSA-N
MW190.24 g/mol
LogP-1.18
Rot. Bonds4

About [(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol

[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol (PubChem CID 131848681) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol
PubChem CID131848681
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol
SMILESOC[C@H]1C[C@H](CO)[C@@H](CO)[C@@H]1CO
InChIInChI=1S/C9H18O4/c10-2-6-1-7(3-11)9(5-13)8(6)4-12/h6-13H,1-5H2/t6-,7-,8-,9-/m1/s1
InChIKeyUBHWOTAUDZDMRM-FNCVBFRFSA-N
XLogP-1.18
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
CID 58681778
CID 58681778
2,3,4-tris(hydroxymethyl)cyclohexan-1-ol
CID 175425260
[(2S)-2-iodocyclopropyl]methanol
CID 122684903
2-bicyclo[1.1.0]butanylmethanol
CID 73001174
2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol
CID 22483587
methane;bis([3-methyl-2-(2-methylpropyl)cyclobutyl]methanol)
CID 161111254
[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]cyclopropyl]cyclopropyl]methanol
CID 10631296
[(1S,2S)-2-bromocyclopropyl]methanol
CID 124629911
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
(2-propa-1,2-dienylcyclopropyl)methanol
CID 123155641
[(1S,2S)-2-ethenylcyclopropyl]methanol
CID 10011846

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol?
The IUPAC name of [(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol (CID 131848681) is [(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol?
The canonical SMILES for [(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol is OC[C@H]1C[C@H](CO)[C@@H](CO)[C@@H]1CO.
What is the InChIKey of [(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol?
The InChIKey is UBHWOTAUDZDMRM-FNCVBFRFSA-N. The full InChI is InChI=1S/C9H18O4/c10-2-6-1-7(3-11)9(5-13)8(6)4-12/h6-13H,1-5H2/t6-,7-,8-,9-/m1/s1.
What are the key properties of [(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol?
[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol has a molecular weight of 190.24 g/mol, XLogP of -1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol is sourced from PubChem (CID 131848681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).