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102037-94-5 | D-Glucose, 6-[bis(2-chloroethyl)amino]-6-deoxy-
CAS No: 102037-94-5 Catalog No: AG0006FF MDL No:
Product Description
Catalog Number:
AG0006FF
Chemical Name:
D-Glucose, 6-[bis(2-chloroethyl)amino]-6-deoxy-
CAS Number:
102037-94-5
Molecular Formula:
C10H19Cl2NO5
Molecular Weight:
304.1676
IUPAC Name:
(2R,3S,4R,5R)-6-[bis(2-chloroethyl)amino]-2,3,4,5-tetrahydroxyhexanal
InChI:
InChI=1S/C10H19Cl2NO5/c11-1-3-13(4-2-12)5-7(15)9(17)10(18)8(16)6-14/h6-10,15-18H,1-5H2/t7-,8+,9-,10-/m1/s1
InChI Key:
LXKPSLUQJMAWQY-UTINFBMNSA-N
SMILES:
ClCCN(C[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)CCCl
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
303.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
304.164g/mol
Monoisotopic Mass:
303.064g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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