(2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol

C10H20O5 — CID 71058447

IUPAC(2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol
SMILESCC(C)C(O)C1C(O)C(CO)[C@@H](O)C1O
InChIInChI=1S/C10H20O5/c1-4(2)7(12)6-8(13)5(3-11)9(14)10(6)15/h4-15H,3H2,1-2H3/t5?,6?,7?,8?,9-,10?/m1/s1
InChIKeyIHDJDIFRJDDVQW-IQCGIJLJSA-N
MW220.26 g/mol
LogP-1.68
Rot. Bonds3

About (2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol

(2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol (PubChem CID 71058447) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol.

Molecular Properties

Compound Name(2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol
PubChem CID71058447
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol
SMILESCC(C)C(O)C1C(O)C(CO)[C@@H](O)C1O
InChIInChI=1S/C10H20O5/c1-4(2)7(12)6-8(13)5(3-11)9(14)10(6)15/h4-15H,3H2,1-2H3/t5?,6?,7?,8?,9-,10?/m1/s1
InChIKeyIHDJDIFRJDDVQW-IQCGIJLJSA-N
XLogP-1.68
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-1.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol 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

(1S,2S,3S,5R,6S,7R)-8-(hydroxymethyl)cyclooctane-1,2,3,4,5,6,7-heptol
CID 25258192
3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol
CID 123934706
CID 88956673
CID 88956673
(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 25167508
2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol
CID 85427488
[(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride
CID 11264099
6-(hydroxymethyl)-2,5-bis(2-methylpropyl)oxane-3,4-diol
CID 159871651
(1R,2S,3R,4S,4aR,5S,6R,7R,8S,8aR)-8-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2,3,4,5,6,7-heptol
CID 100995414
(1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol
CID 171442655
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxypropyl)oxane-3,4,5-triol
CID 25109604
(1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 162423103
(1R,2S,3S,4R,5R,6S)-5-(hydroxymethyl)-6-(pentylamino)cyclohexane-1,2,3,4-tetrol
CID 155801594

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol?
The IUPAC name of (2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol (CID 71058447) is (2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol.
What is the SMILES notation for (2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol?
The canonical SMILES for (2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol is CC(C)C(O)C1C(O)C(CO)[C@@H](O)C1O.
What is the InChIKey of (2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol?
The InChIKey is IHDJDIFRJDDVQW-IQCGIJLJSA-N. The full InChI is InChI=1S/C10H20O5/c1-4(2)7(12)6-8(13)5(3-11)9(14)10(6)15/h4-15H,3H2,1-2H3/t5?,6?,7?,8?,9-,10?/m1/s1.
What are the key properties of (2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol?
(2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol has a molecular weight of 220.26 g/mol, XLogP of -1.68, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(hydroxymethyl)-5-[(1S)-1-hydroxy-2-methylpropyl]cyclopentane-1,2,4-triol is sourced from PubChem (CID 71058447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).