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23725-15-7 | Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexol,5,10,15,17,22,24-hexakis(hydrogen sulfate), sodium salt (1:6)
CAS No: 23725-15-7 Catalog No: AG006V54 MDL No:
Product Description
Catalog Number:
AG006V54
Chemical Name:
Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexol,5,10,15,17,22,24-hexakis(hydrogen sulfate), sodium salt (1:6)
CAS Number:
23725-15-7
Molecular Formula:
C42H16N2Na6O24S6
Molecular Weight:
1262.9041
IUPAC Name:
hexasodium;(7,14,27,33,40-pentasulfonatooxy-17,30-diazaundecacyclo[27.15.0.02,18.03,16.06,15.08,13.019,28.021,26.031,44.032,41.034,39]tetratetraconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31(44),32,34,36,38,40,42-docosaen-20-yl) sulfate
InChI:
InChI=1S/C42H22N2O24S6.6Na/c45-69(46,47)63-37-17-7-1-3-9-19(17)39(65-71(51,52)53)29-25(37)15-13-23-27-28-24-14-16-26-30(40(66-72(54,55)56)20-10-4-2-8-18(20)38(26)64-70(48,49)50)34(24)44-36(28)32-31(35(27)43-33(23)29)41(67-73(57,58)59)21-11-5-6-12-22(21)42(32)68-74(60,61)62;;;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6
InChI Key:
CDHAWSVNAQKAAP-UHFFFAOYSA-H
SMILES:
[O-]S(=O)(=O)Oc1c2c3N=c4c(=c3c3=c5c(=Nc3c2c(c2c1cccc2)OS(=O)(=O)[O-])c1c(OS(=O)(=O)[O-])c2ccccc2c(c1cc5)OS(=O)(=O)[O-])ccc1c4c(OS(=O)(=O)[O-])c2ccccc2c1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
EC Number:
245-841-6
Properties
Complexity:
2760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
7
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1261.78g/mol
Formal Charge:
0
Heavy Atom Count:
80
Hydrogen Bond Acceptor Count:
26
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1262.879g/mol
Monoisotopic Mass:
1261.78g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
474A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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