(2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

C19H20N2O4 — CID 10831004

IUPAC(2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESC[C@@H]1O[C@@H]2[C@@H](OC(=O)[C@H]2NN(c2ccccc2)c2ccccc2)[C@@H]1O
InChIInChI=1S/C19H20N2O4/c1-12-16(22)18-17(24-12)15(19(23)25-18)20-21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-18,20,22H,1H3/t12-,15-,16+,17-,18-/m0/s1
InChIKeyITUYKLWHBFZFSP-RPCVNMKUSA-N
MW340.38 g/mol
LogP1.77
Rot. Bonds4

About (2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

(2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 10831004) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name(2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID10831004
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESC[C@@H]1O[C@@H]2[C@@H](OC(=O)[C@H]2NN(c2ccccc2)c2ccccc2)[C@@H]1O
InChIInChI=1S/C19H20N2O4/c1-12-16(22)18-17(24-12)15(19(23)25-18)20-21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-18,20,22H,1H3/t12-,15-,16+,17-,18-/m0/s1
InChIKeyITUYKLWHBFZFSP-RPCVNMKUSA-N
XLogP1.77
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-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 (2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of (2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 10831004) is (2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for (2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for (2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is C[C@@H]1O[C@@H]2[C@@H](OC(=O)[C@H]2NN(c2ccccc2)c2ccccc2)[C@@H]1O.
What is the InChIKey of (2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is ITUYKLWHBFZFSP-RPCVNMKUSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-16(22)18-17(24-12)15(19(23)25-18)20-21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-18,20,22H,1H3/t12-,15-,16+,17-,18-/m0/s1.
What are the key properties of (2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
(2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 340.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,3aS,6S,6aS)-6-(2,2-diphenylhydrazinyl)-3-hydroxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 10831004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).