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Details

Stereochemistry RACEMIC
Molecular Formula C5H12O2
Molecular Weight 104.1476
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-PENTANEDIOL, (±)-

SMILES

C[C@@H](O)C[C@@H](C)O

InChI

InChIKey=GTCCGKPBSJZVRZ-RFZPGFLSSA-N
InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1

HIDE SMILES / InChI

Molecular Formula C5H12O2
Molecular Weight 104.1476
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 Sat Dec 16 05:45:21 GMT 2023
Edited
by admin
on Sat Dec 16 05:45:21 GMT 2023
Record UNII
390RNY77SU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-PENTANEDIOL, (±)-
Systematic Name English
DL-2,4-PENTANEDIOL
Systematic Name English
2,4-PENTANEDIOL, (2R,4R)-REL-
Common Name English
2,4-PENTANEDIOL, (R*,R*)-
Systematic Name English
(±)-2,4-PENTANEDIOL
Systematic Name English
(R*,R*)-2,4-PENTANEDIOL
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
253-017-2
Created by admin on Sat Dec 16 05:45:21 GMT 2023 , Edited by admin on Sat Dec 16 05:45:21 GMT 2023
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FDA UNII
390RNY77SU
Created by admin on Sat Dec 16 05:45:21 GMT 2023 , Edited by admin on Sat Dec 16 05:45:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID401310414
Created by admin on Sat Dec 16 05:45:21 GMT 2023 , Edited by admin on Sat Dec 16 05:45:21 GMT 2023
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PUBCHEM
2723683
Created by admin on Sat Dec 16 05:45:21 GMT 2023 , Edited by admin on Sat Dec 16 05:45:21 GMT 2023
PRIMARY
CAS
36402-52-5
Created by admin on Sat Dec 16 05:45:21 GMT 2023 , Edited by admin on Sat Dec 16 05:45:21 GMT 2023
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