Glycine, N-((5-((6-deoxy-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-(beta-L-xylopyranosyloxy)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Base Information

• Chemical Name: Glycine, N-((5-((6-deoxy-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-(beta-L-xylopyranosyloxy)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
• CAS No.: 149598-63-0
• Deprecated CAS: 284042-72-4
• Molecular Formula: C37H37 N O19
• Molecular Weight: 799.68
• DSSTox Substance ID: DTXSID50164348
• Nikkaji Number: J550.934C
• Wikidata: Q76278887
• Mol file: 149598-63-0.mol

Synonyms:pradimicin T2;PRM T2

Chemical Property of Glycine, N-((5-((6-deoxy-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-(beta-L-xylopyranosyloxy)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1157.4°Cat760mmHg
• PKA: 2.93±0.10(Predicted)
• Flash Point: 653.7°C
• PSA: 343.25000
• Density: 1.85g/cm³
• LogP: -1.30660
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 7
• Exact Mass: 799.19597795
• Heavy Atom Count: 57
• Complexity: 1530

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NCC(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC7C(C(C(CO7)O)O)O)O)O)O)O)O
• Isomeric SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NCC(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)O[C@@H]7[C@H]([C@@H]([C@H](CO7)O)O)O)O)O)O)O)O

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