(2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one

C7H10O5 — CID 102371034

IUPAC(2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one
SMILESO=C1C=C[C@H]([C@@H](O)[C@H](O)CO)O1
InChIInChI=1S/C7H10O5/c8-3-4(9)7(11)5-1-2-6(10)12-5/h1-2,4-5,7-9,11H,3H2/t4-,5-,7+/m1/s1
InChIKeyNATRVBHPDXDFPY-XAHCXIQSSA-N
MW174.15 g/mol
LogP-1.82
Rot. Bonds3

About (2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one

(2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one (PubChem CID 102371034) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one
PubChem CID102371034
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one
SMILESO=C1C=C[C@H]([C@@H](O)[C@H](O)CO)O1
InChIInChI=1S/C7H10O5/c8-3-4(9)7(11)5-1-2-6(10)12-5/h1-2,4-5,7-9,11H,3H2/t4-,5-,7+/m1/s1
InChIKeyNATRVBHPDXDFPY-XAHCXIQSSA-N
XLogP-1.82
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one (CID 102371034) is (2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one is O=C1C=C[C@H]([C@@H](O)[C@H](O)CO)O1.
What is the InChIKey of (2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one?
The InChIKey is NATRVBHPDXDFPY-XAHCXIQSSA-N. The full InChI is InChI=1S/C7H10O5/c8-3-4(9)7(11)5-1-2-6(10)12-5/h1-2,4-5,7-9,11H,3H2/t4-,5-,7+/m1/s1.
What are the key properties of (2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one?
(2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one has a molecular weight of 174.15 g/mol, XLogP of -1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2R)-1,2,3-trihydroxypropyl]-2H-furan-5-one is sourced from PubChem (CID 102371034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).