Home Other Building Blocks 7-Aminoactinomycin d

7-Aminoactinomycin d

CAS No.:
7240-37-1
Catalog Number:
AG006623
Molecular Formula:
C62H87N13O16
Molecular Weight:
1270.4317
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$180
- +
5mg
≥95%
1 week
United States
$551
- +
Product Description
Catalog Number:
AG006623
Chemical Name:
7-Aminoactinomycin d
CAS Number:
7240-37-1
Molecular Formula:
C62H87N13O16
Molecular Weight:
1270.4317
MDL Number:
MFCD00077295
IUPAC Name:
2,7-diamino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
InChI:
InChI=1S/C62H87N13O16/c1-26(2)42-59(85)74-21-17-19-36(74)57(83)70(13)24-38(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)34-23-35(63)30(9)51-46(34)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(12)90-62(88)49(29(7)8)73(16)39(77)25-71(14)58(84)37-20-18-22-75(37)60(86)43(27(3)4)67-56(45)82/h23,26-29,32-33,36-37,42-45,48-49H,17-22,24-25,63-64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)
InChI Key:
YXHLJMWYDTXDHS-UHFFFAOYSA-N
SMILES:
O=C1N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N(C(C(=O)O[C@@H]([C@@H]1NC(=O)c1c2nc3c(cc(c(c3oc2c(c(=O)c1N)C)C)N)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]2N(C(=O)[C@H](NC1=O)C(C)C)CCC2)C)C)C(C)C)C
NSC Number:
239759
Properties
Complexity:
3070  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1269.639g/mol
Formal Charge:
0
Heavy Atom Count:
91  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
1270.453g/mol
Monoisotopic Mass:
1269.639g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
382A^2
Undefined Atom Stereocenter Count:
10  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
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Properties