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Home > Nitro Compounds > 77450-67-0
77450-67-0 | 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate
CAS No: 77450-67-0 Catalog No: AG00GGRC MDL No:
Product Description
Catalog Number:
AG00GGRC
Chemical Name:
2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate
CAS Number:
77450-67-0
IUPAC Name:
[[(4R,6R)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
InChI:
InChI=1S/C16H16N8O16P2/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(37-15)3-36-42(34,35)40-41(31,32)33)38-16(39-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7-8,11-12,15H,3H2,(H,34,35)(H2,17,18,19)(H2,31,32,33)/p-1/t7-,8?,11?,12?,15-,16?/m1/s1
InChI Key:
WYOHYTDXVJMKHS-LKSVHCESSA-M
Properties
Complexity:
1310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
637.008g/mol
Formal Charge:
-1
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
637.284g/mol
Monoisotopic Mass:
637.008g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
351A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
Literature
| Title | Journal |
|---|---|
| Inhibition study of ADP,ATP transport in mitochondria with trinitrophenyl-modified substrates. | FEBS letters 19830502 |
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