(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

C6H10O5 — CID 58701530

IUPAC(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESC[C@@]1(O)C(=O)OC(CO)C1O
InChIInChI=1S/C6H10O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-4,7-8,10H,2H2,1H3/t3?,4?,6-/m0/s1
InChIKeyWJBVKNHJSHYNHO-DGZDMUDUSA-N
MW162.14 g/mol
LogP-1.98
Rot. Bonds1

About (3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one (PubChem CID 58701530) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
PubChem CID58701530
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESC[C@@]1(O)C(=O)OC(CO)C1O
InChIInChI=1S/C6H10O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-4,7-8,10H,2H2,1H3/t3?,4?,6-/m0/s1
InChIKeyWJBVKNHJSHYNHO-DGZDMUDUSA-N
XLogP-1.98
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 11513798
(4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 66795801
(3S)-3-bromo-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
CID 170836452
3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
CID 13477302
3,4-dihydroxy-3,5-dimethyloxolan-2-one
CID 130144854
5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-one
CID 20781355
3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one
CID 154814085
CID 173157296
CID 173157296
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(6R,7S)-7-chloro-6-(hydroxymethyl)-5-oxaspiro[2.4]heptan-4-one
CID 53375971
(2S,3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 59796320

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The IUPAC name of (3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one (CID 58701530) is (3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one.
What is the SMILES notation for (3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The canonical SMILES for (3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one is C[C@@]1(O)C(=O)OC(CO)C1O.
What is the InChIKey of (3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The InChIKey is WJBVKNHJSHYNHO-DGZDMUDUSA-N. The full InChI is InChI=1S/C6H10O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-4,7-8,10H,2H2,1H3/t3?,4?,6-/m0/s1.
What are the key properties of (3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one has a molecular weight of 162.14 g/mol, XLogP of -1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 58701530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).