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206440-72-4

206440-72-4 | 1,2,3,4-Butanetetrol, 2-methyl-, 4-(dihydrogen phosphate), (2S,3R)-

CAS No: 206440-72-4 Catalog No: AG002II5 MDL No:

Product Description

Catalog Number:
AG002II5
Chemical Name:
1,2,3,4-Butanetetrol, 2-methyl-, 4-(dihydrogen phosphate), (2S,3R)-
CAS Number:
206440-72-4
Molecular Formula:
C5H13O7P
Molecular Weight:
216.1263
IUPAC Name:
[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] dihydrogen phosphate
InChI:
InChI=1S/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1
InChI Key:
XMWHRVNVKDKBRG-UHNVWZDZSA-N
SMILES:
OC[C@@]([C@@H](COP(=O)(O)O)O)(O)C

Properties

Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
216.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
216.126g/mol
Monoisotopic Mass:
216.04g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3  

Literature

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