Orienticin D

Base Information

• Chemical Name: Orienticin D
• CAS No.: 112848-46-1
• Molecular Formula: C74H91 Cl N10 O26
• Molecular Weight: 1572.0187
• UNII: B3ST8Q2F3H
• Metabolomics Workbench ID: 97930
• Nikkaji Number: J228.047G
• Wikidata: Q27274321
• Mol file: 112848-46-1.mol

Synonyms:Orienticin D;Orienticine D;112848-46-1;UNII-B3ST8Q2F3H;B3ST8Q2F3H;Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-10-dechloro-56-methyl-, (4''R)-;(4''R)-22-O-(3-Amino-3-C-methyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-10-dechloro-56-methylvan;Q27274321;VANCOMYCIN, 22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)-10-DECHLORO-56-METHYL-, (4''R)-

Chemical Property of Orienticin D

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 2.93±0.70(Predicted)
• Flash Point: °C
• PSA: 566.18000
• Density: 1.59g/cm³
• LogP: 4.16830
• XLogP3: -3
• Hydrogen Bond Donor Count: 19
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 15
• Exact Mass: 1570.5794507
• Heavy Atom Count: 111
• Complexity: 3280

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C7C(=O)NC(C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)C(C(=O)N7)NC(=O)C5NC(=O)C(NC(=O)C(C(C1=CC=C(O4)C=C1)O)NC(=O)C(CC(C)C)N(C)C)CC(=O)N)O)C(=O)O)OC1CC(C(C(O1)C)O)(C)N)Cl)CO)O)O)(C)N)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H]7C(=O)N[C@@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C1=CC=C(O4)C=C1)O)NC(=O)[C@@H](CC(C)C)N(C)C)CC(=O)N)O)C(=O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)Cl)CO)O)O)(C)N)O