(1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen

C6H14O4 — CID 155387723

IUPAC(1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen
SMILESOC[C@@H]1C[C@H](O)[C@H](O)[C@H]1O.[H][H]
InChIInChI=1S/C6H12O4.H2/c7-2-3-1-4(8)6(10)5(3)9;/h3-10H,1-2H2;1H/t3-,4-,5-,6-;/m0./s1
InChIKeyBXRLUMSURWSVPO-DEZHIRTDSA-N
MW150.17 g/mol
LogP-1.67
Rot. Bonds1

About (1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen

(1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen (PubChem CID 155387723) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is (1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen.

Molecular Properties

Compound Name(1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen
PubChem CID155387723
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen
SMILESOC[C@@H]1C[C@H](O)[C@H](O)[C@H]1O.[H][H]
InChIInChI=1S/C6H12O4.H2/c7-2-3-1-4(8)6(10)5(3)9;/h3-10H,1-2H2;1H/t3-,4-,5-,6-;/m0./s1
InChIKeyBXRLUMSURWSVPO-DEZHIRTDSA-N
XLogP-1.67
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen?
The IUPAC name of (1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen (CID 155387723) is (1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen.
What is the SMILES notation for (1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen?
The canonical SMILES for (1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen is OC[C@@H]1C[C@H](O)[C@H](O)[C@H]1O.[H][H].
What is the InChIKey of (1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen?
The InChIKey is BXRLUMSURWSVPO-DEZHIRTDSA-N. The full InChI is InChI=1S/C6H12O4.H2/c7-2-3-1-4(8)6(10)5(3)9;/h3-10H,1-2H2;1H/t3-,4-,5-,6-;/m0./s1.
What are the key properties of (1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen?
(1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen has a molecular weight of 150.17 g/mol, XLogP of -1.67, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen is sourced from PubChem (CID 155387723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).