200,000+ products from a single source!
sales@angenechem.com
869355-42-0 | 5'-O-(DIMETHOXYTRITYL)-N4-(DIISOBUTYLAMINO)METHYLIDENE-5-(1-PROPYNYL)-2'-DEOXYCYTIDINE
CAS No: 869355-42-0 Catalog No: AG004ODR MDL No:
Product Description
Catalog Number:
AG004ODR
Chemical Name:
5'-O-(DIMETHOXYTRITYL)-N4-(DIISOBUTYLAMINO)METHYLIDENE-5-(1-PROPYNYL)-2'-DEOXYCYTIDINE
CAS Number:
869355-42-0
Molecular Formula:
C42H50N4O6
Molecular Weight:
706.8696
IUPAC Name:
N'-[1-[(2R,4S,5R)-5-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-5-prop-1-ynylpyrimidin-4-yl]-N,N-bis(2-methylpropyl)methanimidamide
InChI:
InChI=1S/C42H50N4O6/c1-8-16-31-26-46(41(48)44-40(31)43-28-45(24-29(2)3)25-30(4)5)38-23-35(47)37(52-38)27-51-42(32-17-11-9-12-18-32,33-19-13-10-14-20-33)34-21-15-22-36(49-6)39(34)50-7/h9-15,17-22,26,28-30,35,37-38,47H,23-25,27H2,1-7H3/t35-,37+,38+/m0/s1
InChI Key:
NMQJQAOJRJHHHC-KFHIMVBXSA-N
SMILES:
CC#Cc1cn([C@@H]2O[C@@H]([C@H](C2)O)COC(c2cccc(c2OC)OC)(c2ccccc2)c2ccccc2)c(=O)nc1N=CN(CC(C)C)CC(C)C
Properties
Complexity:
1290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
706.373g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
706.884g/mol
Monoisotopic Mass:
706.373g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.