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(1R,2R)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol

(1R,2R)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol structure

CAS No:
51458-28-7
Formula:
C10H15NO4S
Chemical Name:
(1R,2R)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol
Synonyms:
1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-,(1R,2R)-;1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-,[R-(R*,R*)]-;(1R,2R)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol;D-(-)-threo-2-Amino-1-[4-methylsulfonyl)phenyl]-1,3-propanediol;(1R,2R)-2-Amino-1-(4-(methylsulfonyl)phenyl)-1,3-propanediol

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(1R,2R)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol Basic Attributes

Molecular Weight：

245.29500

Exact Mass：

245.30

EC Number：

257-216-5

DSSTox ID：

DTXSID10199434

HScode：

2922199090

Characteristics

PSA：

109.00000

XLogP3：

1.22420

Density：

1.36g/cm3

Melting Point：

141.7-142 °C

Boiling Point：

533.8ºC at 760mmHg

Flash Point：

276.6ºC

Refractive Index：

1.588

Computed Properties

Molecular Weight:245.30
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:245.07217913
Monoisotopic Mass:245.07217913
Topological Polar Surface Area:109
Heavy Atom Count:16
Complexity:303
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1R,2R)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol

Basic Attributes
Characteristics
Computed Properties

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