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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H8O4
Molecular Weight 144.1253
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTENOMYCIN I, (+)-

SMILES

OC[C@@]1(O)[C@H](O)C=CC1=O

InChI

InChIKey=NCKMZWFKQTWDTD-INEUFUBQSA-N
InChI=1S/C6H8O4/c7-3-6(10)4(8)1-2-5(6)9/h1-2,4,7-8,10H,3H2/t4-,6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C6H8O4
Molecular Weight 144.1253
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:14:17 GMT 2025
Edited
by admin
on Wed Apr 02 12:14:17 GMT 2025
Record UNII
E9D5RFD6GA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTENOMYCIN I, (+)-
Common Name English
(+)-PENTENOMYCIN I
Preferred Name English
2-CYCLOPENTEN-1-ONE, 4,5-DIHYDROXY-5-(HYDROXYMETHYL)-, (4R,5R)-
Systematic Name English
(4R,5R)-4,5-DIHYDROXY-5-(HYDROXYMETHYL)-2-CYCLOPENTEN-1-ONE
Systematic Name English
2-CYCLOPENTEN-1-ONE, 4,5-DIHYDROXY-5-(HYDROXYMETHYL)-, (4R-CIS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11845509
Created by admin on Wed Apr 02 12:14:18 GMT 2025 , Edited by admin on Wed Apr 02 12:14:18 GMT 2025
PRIMARY
CAS
89576-10-3
Created by admin on Wed Apr 02 12:14:18 GMT 2025 , Edited by admin on Wed Apr 02 12:14:18 GMT 2025
PRIMARY
FDA UNII
E9D5RFD6GA
Created by admin on Wed Apr 02 12:14:18 GMT 2025 , Edited by admin on Wed Apr 02 12:14:18 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER