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Destruxin D2

CAT: 0013-GTR19277981-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277981-05Size:5 mg
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Description
Destruxin D2 is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
79385-97-0
Smiles
CC (C) C1NC (=O) C2CCCN2C (=O) C (CC (C) C (O) =O) OC (=O) CCNC (=O) C (C) N (C) C (=O) C (C (C) C) N (C) C1=O
Molecular Formula
C29H47N5O9
Molecular Weight
609.72
Notes
For research use only.

Chemical Information

Destruxin D2
CAS Number79385-97-0
PubChem CID157511
IUPAC Name2-methyl-3-[10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]propanoic acid
Molecular FormulaC29H47N5O9
Molecular Weight609.7
XLogP1.2
Topological Polar Surface Area183
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count43
Formal Charge0
Complexity1090
SMILES
CC1C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)N1C)C(C)C)C)C(C)C)CC(C)C(=O)O
InChI
InChI=1S/C29H47N5O9/c1-15(2)22-27(39)33(8)23(16(3)4)28(40)32(7)18(6)24(36)30-12-11-21(35)43-20(14-17(5)29(41)42)26(38)34-13-9-10-19(34)25(37)31-22/h15-20,22-23H,9-14H2,1-8H3,(H,30,36)(H,31,37)(H,41,42)
InChIKey
PQDFKLRXDHJLPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Destruxin D2
CAS: 79385-97-0
CID: 157511
Formula: C29H47N5O9
MW: 609.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.7
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass609.33737809
Monoisotopic Mass609.33737809
Topological Polar Surface Area183 Ų
Heavy Atom Count43
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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