6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one

C10H14O5 — CID 163024893

IUPAC6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one
SMILESCOc1cc([C@@](C)(O)[C@H](C)O)oc(=O)c1
InChIInChI=1S/C10H14O5/c1-6(11)10(2,13)8-4-7(14-3)5-9(12)15-8/h4-6,11,13H,1-3H3/t6-,10-/m0/s1
InChIKeySGJAGMWFELNOAM-WKEGUHRASA-N
MW214.22 g/mol
LogP0.24
Rot. Bonds3

About 6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one

6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one (PubChem CID 163024893) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one
PubChem CID163024893
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one
SMILESCOc1cc([C@@](C)(O)[C@H](C)O)oc(=O)c1
InChIInChI=1S/C10H14O5/c1-6(11)10(2,13)8-4-7(14-3)5-9(12)15-8/h4-6,11,13H,1-3H3/t6-,10-/m0/s1
InChIKeySGJAGMWFELNOAM-WKEGUHRASA-N
XLogP0.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2E,4E)-5-(4-methoxy-3-methyl-6-oxo-2,3-dihydropyran-2-yl)penta-2,4-dienoic acid
CID 44566949
Chlamydospordiol
CID 190904
2H-Pyran-2-one, 5-(hydroxymethyl)-4-methoxy-6-propyl-
CID 10352700
5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one
CID 56773935
Pyrenocine P
CID 134150361
Annularin A
CID 637272
6-[(1R)-1-Hydroxypentyl]-4-methoxy-2H-pyran-2-one
CID 23872095
5,6-dihydro-4-methoxy-6-hydroxymethyl-2H-pyran-2-one
CID 56773906
Pyrenocine C
CID 6439921
2H-Pyran-2-one, 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-
CID 10104673
CID 54685136
CID 54685136
6-(1,2-Dihydroxypentyl)pyran-2-one
CID 74947856

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one?
The IUPAC name of 6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one (CID 163024893) is 6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one.
What is the SMILES notation for 6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one?
The canonical SMILES for 6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one is COc1cc([C@@](C)(O)[C@H](C)O)oc(=O)c1.
What is the InChIKey of 6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one?
The InChIKey is SGJAGMWFELNOAM-WKEGUHRASA-N. The full InChI is InChI=1S/C10H14O5/c1-6(11)10(2,13)8-4-7(14-3)5-9(12)15-8/h4-6,11,13H,1-3H3/t6-,10-/m0/s1.
What are the key properties of 6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one?
6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one has a molecular weight of 214.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one is sourced from PubChem (CID 163024893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).