CAS 4254-15-3 | (S)-(+)-1,2-Propanediol | CAS Number 4254-15-3

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4254-15-3 | (S)-(+)-1,2-Propanediol

CAS No: 4254-15-3 Catalog No: AG0032FV MDL No:MFCD00004539

Product Description

Catalog Number:

AG0032FV

Chemical Name:

(S)-(+)-1,2-Propanediol

CAS Number:

4254-15-3

Molecular Formula:

C3H8O2

Molecular Weight:

76.0944

MDL Number:

MFCD00004539

IUPAC Name:

(2S)-propane-1,2-diol

InChI:

InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1

InChI Key:

DNIAPMSPPWPWGF-VKHMYHEASA-N

SMILES:

OC[C@@H](O)C

UNII:

942194N4TD

Properties

Complexity:

20.9

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

76.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

76.095g/mol

Monoisotopic Mass:

76.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9

Literature

Title	Journal
Gallates of isoorientin and (2S)-1,2-propanediol glucoside from the leaves of Schoepfia jasminodora.	Journal of natural medicines 20110701
Structural rationalization for the lack of stereospecificity in coenzyme B12-dependent diol dehydratase.	The Journal of biological chemistry 20030620
Synthesis of new P3CS derivatives and their mitogenic activity on in vitro mice splenocytes.	Farmaco (Societa chimica italiana : 1989) 20030401
Oxidation of 3-C-(2-amino-2-deoxy-D-glucopyranosyl)-1-propene compounds and the structure of 3-C-(2-amino-2-deoxy-D-glucopyranosyl)-1,2-propanediol derivatives for a synthesis of 2,3-didehydro-2,7-dideoxy-N-acetylneuraminic acid.	Carbohydrate research 20021119