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139623-12-4

139623-12-4 | D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-3-O-(3-hydroxytetradecyl)-, 4-(dihydrogen phosphate), [2(R),3(R)]- (9CI)

CAS No: 139623-12-4 Catalog No: AG001BE7 MDL No:

Product Description

Catalog Number:
AG001BE7
Chemical Name:
D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-3-O-(3-hydroxytetradecyl)-, 4-(dihydrogen phosphate), [2(R),3(R)]- (9CI)
CAS Number:
139623-12-4
IUPAC Name:
[(2R,3S,4R,5R)-6-hydroxy-2-(hydroxymethyl)-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-(3-hydroxytetradecoxy)oxan-3-yl] dihydrogen phosphate
InChI:
InChI=1S/C34H68NO11P/c1-3-5-7-9-11-13-15-17-19-21-27(37)23-24-44-33-31(34(40)45-29(26-36)32(33)46-47(41,42)43)35-30(39)25-28(38)22-20-18-16-14-12-10-8-6-4-2/h27-29,31-34,36-38,40H,3-26H2,1-2H3,(H,35,39)(H2,41,42,43)/t27?,28-,29-,31-,32-,33-,34?/m1/s1
InChI Key:
NZTUQFCMOJTJEE-DYRIWUFDSA-N

Properties

Complexity:
817  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
697.453g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
697.888g/mol
Monoisotopic Mass:
697.453g/mol
Rotatable Bond Count:
30  
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1  

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