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83091-86-5 | [5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid
CAS No: 83091-86-5 Catalog No: AG008JXL MDL No:
Product Description
Catalog Number:
AG008JXL
Chemical Name:
[5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid
CAS Number:
83091-86-5
Molecular Formula:
C9H13N2O8PS
Molecular Weight:
340.2469
IUPAC Name:
[5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C9H13N2O8PS/c10-8(14)3-2-21-9(11-3)7-6(13)5(12)4(19-7)1-18-20(15,16)17/h2,4-7,12-13H,1H2,(H2,10,14)(H2,15,16,17)
InChI Key:
XDDGVTBJYGSVPM-UHFFFAOYSA-N
SMILES:
OC1C(O)C(OC1c1scc(n1)C(=O)N)COP(=O)(O)O
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.013g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
340.243g/mol
Monoisotopic Mass:
340.013g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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