(2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one

C19H21NO4 — CID 139586603

IUPAC(2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one
SMILESC/C(=C\[C@@]1(C)c2c(c(-c3ccccc3)c[nH]c2=O)O[C@H]1O)C(C)O
InChIInChI=1S/C19H21NO4/c1-11(12(2)21)9-19(3)15-16(24-18(19)23)14(10-20-17(15)22)13-7-5-4-6-8-13/h4-10,12,18,21,23H,1-3H3,(H,20,22)/b11-9+/t12?,18-,19+/m1/s1
InChIKeyUHCZAGPGRURPHV-DOHRTDMTSA-N
MW327.38 g/mol
LogP2.34
Rot. Bonds3

About (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one

(2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one (PubChem CID 139586603) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name(2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one
PubChem CID139586603
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one
SMILESC/C(=C\[C@@]1(C)c2c(c(-c3ccccc3)c[nH]c2=O)O[C@H]1O)C(C)O
InChIInChI=1S/C19H21NO4/c1-11(12(2)21)9-19(3)15-16(24-18(19)23)14(10-20-17(15)22)13-7-5-4-6-8-13/h4-10,12,18,21,23H,1-3H3,(H,20,22)/b11-9+/t12?,18-,19+/m1/s1
InChIKeyUHCZAGPGRURPHV-DOHRTDMTSA-N
XLogP2.34
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-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 (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one?
The IUPAC name of (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one (CID 139586603) is (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one.
What is the SMILES notation for (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one?
The canonical SMILES for (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one is C/C(=C\[C@@]1(C)c2c(c(-c3ccccc3)c[nH]c2=O)O[C@H]1O)C(C)O.
What is the InChIKey of (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one?
The InChIKey is UHCZAGPGRURPHV-DOHRTDMTSA-N. The full InChI is InChI=1S/C19H21NO4/c1-11(12(2)21)9-19(3)15-16(24-18(19)23)14(10-20-17(15)22)13-7-5-4-6-8-13/h4-10,12,18,21,23H,1-3H3,(H,20,22)/b11-9+/t12?,18-,19+/m1/s1.
What are the key properties of (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one?
(2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one has a molecular weight of 327.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 139586603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).