(2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one

C10H16O5 — CID 139585929

IUPAC(2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one
SMILESCO[C@@H](C1=C[C@H](O)[C@@H](C)OC1=O)[C@@H](C)O
InChIInChI=1S/C10H16O5/c1-5(11)9(14-3)7-4-8(12)6(2)15-10(7)13/h4-6,8-9,11-12H,1-3H3/t5-,6-,8+,9-/m1/s1
InChIKeyHPKIOTFRXLRBAB-MTSNSDSCSA-N
MW216.23 g/mol
LogP-0.39
Rot. Bonds3

About (2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one

(2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one (PubChem CID 139585929) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one
PubChem CID139585929
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one
SMILESCO[C@@H](C1=C[C@H](O)[C@@H](C)OC1=O)[C@@H](C)O
InChIInChI=1S/C10H16O5/c1-5(11)9(14-3)7-4-8(12)6(2)15-10(7)13/h4-6,8-9,11-12H,1-3H3/t5-,6-,8+,9-/m1/s1
InChIKeyHPKIOTFRXLRBAB-MTSNSDSCSA-N
XLogP-0.39
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one with MolForge

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Related Compounds

(5S,6S)-5-((1-Carboxyethenyl)oxy)-6-hydroxy-1,3-cyclohexadiene-1-carboxylic acid
CID 189062
Marliolide
CID 12311312
Subamolide A
CID 16104909
Isochorismate
CID 5460580
Aruncin B
CID 53248678
(3E,4S,5S)-3-dodecylidene-4-hydroxy-5-methyloxolan-2-one
CID 10265812
(3E,4R,5S)-4-hydroxy-5-methyl-3-tetradecylideneoxolan-2-one
CID 12311310
Aspyrone
CID 167653
3-epi-Waol A
CID 101894909
(3E,5S,6R,9E,14R)-5-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
CID 11608885
(3E,4S,5S)-3-dodec-11-enylidene-4-hydroxy-5-methyloxolan-2-one
CID 101028451
(3E,4S,5R)-3-dodecylidene-4-hydroxy-5-methyloxolan-2-one
CID 145961679

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one (CID 139585929) is (2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one is CO[C@@H](C1=C[C@H](O)[C@@H](C)OC1=O)[C@@H](C)O.
What is the InChIKey of (2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one?
The InChIKey is HPKIOTFRXLRBAB-MTSNSDSCSA-N. The full InChI is InChI=1S/C10H16O5/c1-5(11)9(14-3)7-4-8(12)6(2)15-10(7)13/h4-6,8-9,11-12H,1-3H3/t5-,6-,8+,9-/m1/s1.
What are the key properties of (2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one?
(2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one has a molecular weight of 216.23 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 139585929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).