(3S,4S)-1-benzylpyrrolidine-3,4-diol

(3S,4S)-1-benzylpyrrolidine-3,4-diol

CAS: 90365-74-5

Formula: C11H15NO2

SMILES: O[C@H]1CN(CC2=CC=CC=C2)C[C@@H]1O

IUPAC: (3S,4S)-1-benzylpyrrolidine-3,4-diol

InChI: InChI=1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m0/s1

Composition: C (68.37%), H (7.82%), N (7.25%), O (16.56%)

Molar Mass: 193.246

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	193.110278727
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QJRIUWQPJVPYSO-QWRGUYRKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.56
Topological Polar Surface Area	43.7
Polarizability	21.57
Ring Count	2
Rotatable Bond Count	2

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LEAP CHEM CO., LTD.

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Angene International Limited

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1Pluschem LLC

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