Molecule ID: 44263835

IUPAC Name: [(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-4,5-dinitrooxy-2-(nitrooxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trinitrooxy-2-(nitrooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dinitrooxy-6-(nitrooxymethyl)oxan-4-yl] nitrate

Description: The molecule is a (1->4)-beta-D-glucan compound formed by nitrating cellulose through exposure to nitric acid or another powerful nitrating agent. It has a role as a tissue adhesive and an explosive. It derives from a (1->4)-beta-D-glucan.

SMILES: O=[N+]([O-])OC[C@H]1O[C@@H](O[C@H]2[C@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@H](O[N+](=O)[O-])O[C@@H]2CO[N+](=O)[O-])[C@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@@H]1O[C@@H]1O[C@H](CO[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@H](O[N+](=O)[O-])[C@H]1O[N+](=O)[O-]

SELFIES: [O][=N+1][Branch1][C][O-1][O][C][C@H1][O][C@@H1][Branch2][Ring2][#Branch2][O][C@H1][C@H1][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][C@@H1][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][C@H1][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][O][C@@H1][Ring2][Ring1][C][C][O][N+1][=Branch1][C][=O][O-1][C@H1][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][C@@H1][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][C@@H1][Ring2][Ring2][=Branch1][O][C@@H1][O][C@H1][Branch1][Branch2][C][O][N+1][=Branch1][C][=O][O-1][C@@H1][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][C@H1][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][C@H1][Ring2][Ring1][Ring1][O][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C18H21N11O38/c30-19(31)52-1-4-7(58-17-14(65-27(46)47)12(63-25(42)43)9(60-22(36)37)6(56-17)3-54-21(34)35)10(61-23(38)39)13(64-26(44)45)16(55-4)59-8-5(2-53-20(32)33)57-18(67-29(50)51)15(66-28(48)49)11(8)62-24(40)41/h4-18H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16+,17+,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 652.0 Ų
- LogP: 3.1