D-STREPTAMINE, O-2-AMINO-2,3-DIDEOXY-A-D-RIBO-HEXOPYRANOSYL-(1?4)-O-[O-A-D-MANNOPYRANOSYL-(1?4)-O-2,6-DIAMINO-2,6-DIDEOXY-ß-L-IDOPYRANOSYL-(1?3)-ß-D-RIBOFURANOSYL-(1?5)]-2-DEOXY-, SULFATE (SALT)

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key DBLVDAUGBTYDFR-PHTKIPGNSA-N
Smiles NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@H]4O[C@H](CO)[C@@H](O)C[C@H]4N)[C@H](N)[C@@H](O)[C@@H]1O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O.O[S](O)(=O)=O
InChI
InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9+,10-,11-,12+,13+,14+,15+,16+,17+,18+,19-,20-,21+,22-,23+,24+,25-,26+,27+,28+,29-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H55N5O18
Molecular Weight 761.35
AlogP -10.01
Hydrogen Bond Acceptor 23.0
Hydrogen Bond Donor 15.0
Number of Rotational Bond 12.0
Polar Surface Area 406.24
Heavy Atoms 52.0

Cross References

Resources Reference
CAS NUMBER 54911-32-9
NORMAN SUSDAT
CONTENTS