CAS 131565-87-2 | 3,4-Pyrrolidinediol, (3R,4S)-rel- | CAS Number 131565-87-2

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131565-87-2 | 3,4-Pyrrolidinediol, (3R,4S)-rel-

CAS No: 131565-87-2 Catalog No: AG000ZG3 MDL No:MFCD09910269

Product Description

Catalog Number:

AG000ZG3

Chemical Name:

3,4-Pyrrolidinediol, (3R,4S)-rel-

CAS Number:

131565-87-2

Molecular Formula:

C4H9NO2

Molecular Weight:

103.1198

MDL Number:

MFCD09910269

IUPAC Name:

(3S,4R)-pyrrolidine-3,4-diol

InChI:

InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4+

InChI Key:

JCZPOYAMKJFOLA-ZXZARUISSA-N

SMILES:

O[C@@H]1CNC[C@@H]1O

Properties

Complexity:

58.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

103.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

103.121g/mol

Monoisotopic Mass:

103.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.7

Literature

Title	Journal
Derivatives of (2R,3R,4S)-2-aminomethylpyrrolidine-3,4-diol are selective alpha-mannosidase inhibitors.	Bioorganic & medicinal chemistry letters 20010917
New leads for selective inhibitors of alpha-L-fucosidases. Synthesis and glycosidase inhibitory activities of [(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]furan derivatives.	Bioorganic & medicinal chemistry letters 20010917