200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 81552-33-2

81552-33-2

81552-33-2 | Concanamycin B

CAS No: 81552-33-2 Catalog No: AG005JUA MDL No:

Product Description

Catalog Number:
AG005JUA
Chemical Name:
Concanamycin B
CAS Number:
81552-33-2
Molecular Formula:
C45H73NO14
Molecular Weight:
852.0594
IUPAC Name:
[6-[2-[4-(10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl)-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-prop-1-enyloxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate
InChI:
InChI=1S/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)
InChI Key:
AQXXGIBOZQZSAT-UHFFFAOYSA-N
SMILES:
CC=CC1OC(O)(CC(C1C)OC1CC(O)C(C(O1)C)OC(=O)N)C(C(C(C1OC(=O)C(=CC(=CC(C)C(O)C(C(C(CC(=CC=CC1OC)C)C)O)C)C)OC)C)O)C

Properties

Complexity:
1560  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
851.503g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
852.072g/mol
Monoisotopic Mass:
851.503g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
226A^2
Undefined Atom Stereocenter Count:
18  
Undefined Bond Stereocenter Count:
5  
XLogP3:
5.6  

© 2019 Angene International Limited. All rights Reserved.