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Home > Nitro Compounds > 74173-30-1

74173-30-1

74173-30-1 | 4-NITROPHENYL-ALPHA-D-MALTOHEXAOSIDE

CAS No: 74173-30-1 Catalog No: AG00FBEX MDL No:MFCD00065704

Product Description

Catalog Number:
AG00FBEX
Chemical Name:
4-NITROPHENYL-ALPHA-D-MALTOHEXAOSIDE
CAS Number:
74173-30-1
Molecular Formula:
C42H65NO33
Molecular Weight:
1111.9524
MDL Number:
MFCD00065704
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C42H65NO33/c44-5-13-19(50)20(51)26(57)38(66-13)72-33-15(7-46)68-40(28(59)22(33)53)74-35-17(9-48)70-42(30(61)24(35)55)76-36-18(10-49)71-41(31(62)25(36)56)75-34-16(8-47)69-39(29(60)23(34)54)73-32-14(6-45)67-37(27(58)21(32)52)65-12-3-1-11(2-4-12)43(63)64/h1-4,13-42,44-62H,5-10H2/t13-,14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,42-/m1/s1
InChI Key:
GNFSLPRCTKUSTG-UYDBUFRNSA-N
SMILES:
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]([C@H]2O)O)Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)OC1OC(CO)C(C(C1O)O)O)O)O

Properties

Complexity:
1790  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
30  
Defined Bond Stereocenter Count:
0
Exact Mass:
1111.344g/mol
Formal Charge:
0
Heavy Atom Count:
76  
Hydrogen Bond Acceptor Count:
33  
Hydrogen Bond Donor Count:
19  
Isotope Atom Count:
0
Molecular Weight:
1111.956g/mol
Monoisotopic Mass:
1111.344g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
541A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-11.2  

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