4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one

C10H16O5 — CID 162881515

IUPAC4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one
SMILESC[C@H](O)[C@@H](CO)C1=C(CO)C(=O)OCC1
InChIInChI=1S/C10H16O5/c1-6(13)8(4-11)7-2-3-15-10(14)9(7)5-12/h6,8,11-13H,2-5H2,1H3/t6-,8+/m0/s1
InChIKeyPYNPHESJRWRPGG-POYBYMJQSA-N
MW216.23 g/mol
LogP-0.79
Rot. Bonds4

About 4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one

4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one (PubChem CID 162881515) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one
PubChem CID162881515
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one
SMILESC[C@H](O)[C@@H](CO)C1=C(CO)C(=O)OCC1
InChIInChI=1S/C10H16O5/c1-6(13)8(4-11)7-2-3-15-10(14)9(7)5-12/h6,8,11-13H,2-5H2,1H3/t6-,8+/m0/s1
InChIKeyPYNPHESJRWRPGG-POYBYMJQSA-N
XLogP-0.79
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one?
The IUPAC name of 4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one (CID 162881515) is 4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one is C[C@H](O)[C@@H](CO)C1=C(CO)C(=O)OCC1.
What is the InChIKey of 4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one?
The InChIKey is PYNPHESJRWRPGG-POYBYMJQSA-N. The full InChI is InChI=1S/C10H16O5/c1-6(13)8(4-11)7-2-3-15-10(14)9(7)5-12/h6,8,11-13H,2-5H2,1H3/t6-,8+/m0/s1.
What are the key properties of 4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one?
4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one has a molecular weight of 216.23 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-1,3-dihydroxybutan-2-yl]-5-(hydroxymethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 162881515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).