CAS 5341-95-7|CAS 24347-58-8|CAS 19132-06-0|@(R,R)-2,3-butanediol|(R,R)-2,3-Butanediol|(2R,3S)-butane-2,3-diol|L-Butane-2,3-diol|(2S,3S)-Butane-2,3-diol|(2R,3R)-Butane-2,3-diol|D-Butane-2,3-diol|(R,...

General Information

Structure

Molecular Formula

C₄H₁₀O₂

Molecular Mass

90.121

Exact Mass

90.06807956

Charge

InChI

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+

InChIKey

OWBTYPJTUOEWEK-ZXZARUISSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

LogD (pH = 7.4)

-0.38

LogD (pH = 5.5)

-0.38

Log P

-0.38

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

14.22

Polar Surface Area

40.46

Polarizability

9.83

Molar Refractivity

23.39

LOG S

0.36

Data Source

Names and Identifiers

IUPAC Traditional name

@(R,R)-2,3-butanediol (R,R)-2,3-butanediol

Synonyms

(R,R)-2,3-ButanediolL-Butane-2,3-diol(2S,3S)-Butane-2,3-diol(2R,3R)-Butane-2,3-diolD-Butane-2,3-diol内消旋-2,3-丁二醇meso-2,3-Butanediol(R,S)-butylene glycolerythro-2,3-butanediolNSC 2164(R*,S*)-butane-2,3-diolmeso-butane-2,3-diol(2S,3R)-butanane-2,3-diol(2S,3R)-2,3-butananediolUNII-F5IA8X9O8M(2RS,3SR)-2,3-butanediolmeso-2,3-dihydroxybutane(R,S)-2,3-butanediolmeso-butanediol(R*,S*)-2,3-butanediolerythro-butane-2,3-diolmeso-butylene glycolmeso-dimethyl ethyleneglycolmeso-2,3-butanediol(2RS,3SR)-butane-2,3-diol(R,S)-butane-2,3-diol

IUPAC name

(2R,3S)-butane-2,3-diol

Names and Identifiers

Registration numbers

Beilstein Number

1718900

CAS Number

5341-95-724347-58-819132-06-0

MDL Number

MFCD00077669MFCD00063648

PubChem SID

248513904650616624862226160965611164174934