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134419-06-0 | diiodo-philanthotoxin-343-arginine
CAS No: 134419-06-0 Catalog No: AG00AFVX MDL No:
Product Description
Catalog Number:
AG00AFVX
Chemical Name:
diiodo-philanthotoxin-343-arginine
CAS Number:
134419-06-0
IUPAC Name:
(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide
InChI:
InChI=1S/C29H51I2N9O4/c1-2-8-25(41)40-24(19-20-17-21(30)26(42)22(31)18-20)28(44)38-16-7-13-36-11-4-3-10-35-12-6-15-37-27(43)23(32)9-5-14-39-29(33)34/h17-18,23-24,35-36,42H,2-16,19,32H2,1H3,(H,37,43)(H,38,44)(H,40,41)(H4,33,34,39)/t23-,24-/m0/s1/i30-2,31-2
InChI Key:
OAAQEYQIFYXRKL-PXHQORNJSA-N
Properties
Complexity:
840
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
839.216g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
2
Molecular Weight:
839.595g/mol
Monoisotopic Mass:
839.216g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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