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Disialyloctasaccharide

CAS No.:
58902-60-6
Catalog Number:
AG01EFCK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01EFCK
Chemical Name:
Disialyloctasaccharide
CAS Number:
58902-60-6
MDL Number:
MFCD29905032
IUPAC Name:
5-acetamido-2-[[6-[5-acetamido-6-[2-[[4-[3-[3-acetamido-5-[6-[[5-acetamido-2-carboxy-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
InChI:
InChI=1S/C76H125N5O57/c1-18(89)77-35-23(94)6-75(73(116)117,137-60(35)40(98)25(96)8-82)121-16-33-44(102)50(108)54(112)68(129-33)131-58-30(13-87)126-66(38(48(58)106)80-21(4)92)135-63-52(110)42(100)27(10-84)124-71(63)120-15-32-46(104)62(56(114)70(128-32)133-57-29(12-86)123-65(115)37(47(57)105)79-20(3)91)134-72-64(53(111)43(101)28(11-85)125-72)136-67-39(81-22(5)93)49(107)59(31(14-88)127-67)132-69-55(113)51(109)45(103)34(130-69)17-122-76(74(118)119)7-24(95)36(78-19(2)90)61(138-76)41(99)26(97)9-83/h23-72,82-88,94-115H,6-17H2,1-5H3,(H,77,89)(H,78,90)(H,79,91)(H,80,92)(H,81,93)(H,116,117)(H,118,119)/t23?,24?,25-,26-,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40-,41-,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66?,67?,68?,69?,70?,71?,72?,75?,76?/m0/s1
InChI Key:
VFNZVHISCAMHMJ-CXXNUJJWSA-N
Properties
Complexity:
3930  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
2019.704g/mol
Formal Charge:
0
Heavy Atom Count:
138  
Hydrogen Bond Acceptor Count:
57  
Hydrogen Bond Donor Count:
36  
Isotope Atom Count:
0
Molecular Weight:
2020.814g/mol
Monoisotopic Mass:
2019.704g/mol
Rotatable Bond Count:
39  
Topological Polar Surface Area:
982A^2
Undefined Atom Stereocenter Count:
48  
Undefined Bond Stereocenter Count:
0
XLogP3:
-22  
Properties