(3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one

C10H16O7 — CID 91546375

IUPAC(3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one
SMILESO=C(C(O)C1C=CCO1)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H16O7/c11-4-5(12)7(13)9(15)10(16)8(14)6-2-1-3-17-6/h1-2,5-9,11-15H,3-4H2/t5-,6?,7-,8?,9+/m1/s1
InChIKeyCOJSJKKWBYYDSQ-DRVRTCHJSA-N
MW248.23 g/mol
LogP-3.05
Rot. Bonds6

About (3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one

(3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one (PubChem CID 91546375) has the molecular formula C10H16O7 and a molecular weight of 248.23 g/mol. Its IUPAC name is (3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one
PubChem CID91546375
Molecular FormulaC10H16O7
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Name(3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one
SMILESO=C(C(O)C1C=CCO1)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H16O7/c11-4-5(12)7(13)9(15)10(16)8(14)6-2-1-3-17-6/h1-2,5-9,11-15H,3-4H2/t5-,6?,7-,8?,9+/m1/s1
InChIKeyCOJSJKKWBYYDSQ-DRVRTCHJSA-N
XLogP-3.05
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-3.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one?
The IUPAC name of (3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one (CID 91546375) is (3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one.
What is the SMILES notation for (3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one?
The canonical SMILES for (3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one is O=C(C(O)C1C=CCO1)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one?
The InChIKey is COJSJKKWBYYDSQ-DRVRTCHJSA-N. The full InChI is InChI=1S/C10H16O7/c11-4-5(12)7(13)9(15)10(16)8(14)6-2-1-3-17-6/h1-2,5-9,11-15H,3-4H2/t5-,6?,7-,8?,9+/m1/s1.
What are the key properties of (3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one?
(3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one has a molecular weight of 248.23 g/mol, XLogP of -3.05, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one is sourced from PubChem (CID 91546375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).