(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

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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).