200,000+ products from a single source!
sales@angenechem.com
1909226-00-1 | 9,10-Anthracenedione, 1-[[(2S)-3-(diethylamino)-2-hydroxypropyl]amino]-4-[[(2S)-2-oxiranylmethyl]amino]-
CAS No: 1909226-00-1 Catalog No: AG002EWB MDL No:
Product Description
Catalog Number:
AG002EWB
Chemical Name:
9,10-Anthracenedione, 1-[[(2S)-3-(diethylamino)-2-hydroxypropyl]amino]-4-[[(2S)-2-oxiranylmethyl]amino]-
CAS Number:
1909226-00-1
Molecular Formula:
C24H29N3O4
Molecular Weight:
423.5048
IUPAC Name:
1-[[(2S)-3-(diethylamino)-2-hydroxypropyl]amino]-4-[[(2S)-oxiran-2-yl]methylamino]anthracene-9,10-dione
InChI:
InChI=1S/C24H29N3O4/c1-3-27(4-2)13-15(28)11-25-19-9-10-20(26-12-16-14-31-16)22-21(19)23(29)17-7-5-6-8-18(17)24(22)30/h5-10,15-16,25-26,28H,3-4,11-14H2,1-2H3/t15-,16-/m0/s1
InChI Key:
JYOOEVFJWLBLKF-HOTGVXAUSA-N
SMILES:
CCN(C[C@H](CNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC[C@H]1CO1)O)CC
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
423.216g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
423.513g/mol
Monoisotopic Mass:
423.216g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.