ukrain

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 10
Total Number of Articles : 9
PubChem 168012910
Molecular Formula

C66H73N6O16PS+2

SMILES

C[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)[C@@H]1[C@H]7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]2[C@H]1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C.[OH-]

InChI

InChI=1S/C66H72N6O15PS.H2O/c1-70(25-43-37(4-7-49-64(43)85-31-76-49)58-46(73)16-34-19-52-55(82-28-79-52)22-40(34)61(58)70)13-10-67-88(89,68-11-14-71(2)26-44-38(5-8-50-65(44)86-32-77-50)59-47(74)17-35-20-53-56(83-29-80-53)23-41(35)62(59)71)69-12-15-72(3)27-45-39(6-9-51-66(45)87-33-78-51)60-48(75)18-36-21-54-57(84-30-81-54)24-42(36)63(60)72;/h4-9,19-24,46-48,58-63,73-75H,10-18,25-33H2,1-3H3,(H3,67,68,69,89);1H2/q+3;/p-1/t46-,47-,48-,58-,59-,60-,61+,62+,63+,70?,71?,72?,88?;/m0./s1

synonyms
  • Ukrain
  • AKOS040754301
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Properties
Property Value
MW 1269.4 g/mol
HBD 7
HBA 20
Rotatable Bond Count 12
Exact Mass 1268.45413843 g/mol
Monoisotopic Mass 1268.45413843 g/mol
Heavy Atom Count 90
Isotope Atom Count 0
Atom Stereo Count 12
Covalent Unit Count 2
Complexity 2380
xlogp None
Topological Polar Surface Area 241