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Glycinol

Glycinol structure

CAS No:
69393-95-9
Formula:
C15H12O5
Chemical Name:
Glycinol
Synonyms:
6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol,(6aS,11aS)-;6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol,(6aS-cis)-;(6aS,11aS)-6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol;3,6a,9-Trihydroxypterocarpan;Glycinol;(-)-Glycinol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

3,6,9-trihydroxypterocarpan is a member of the class of pterocarpans carrying three hydroxy substituents at positions 3, 6a and 9. It has a role as a phytoestrogen, an antibacterial agent, a plant metabolite and an antimicrobial agent.

Glycinol Basic Attributes

Molecular Weight：

272.25 g/mol

Exact Mass：

272.25

UNII：

Q0O9HGR94O

Characteristics

PSA：

79.2 Å²

Melting Point：

108-112 °C

Drug Information

MeSH Entry Terms：

3,6,9-trihydroxypterocarpan

Glycinol Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Pterocarpans [PK1207]

Computed Properties

Molecular Weight:272.25
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Exact Mass:272.06847348
Monoisotopic Mass:272.06847348
Topological Polar Surface Area:79.2
Heavy Atom Count:20
Complexity:389
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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