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Saha chloroalkane T1

CAT: 0926-NPC61705-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-NPC61705-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1613617-05-2
Smiles
C1=CC (=CC=C1CNC (=O) OCCOCCOCCOC (=O) NCCOCCOCCCCCCCl) NC (=O) CCCCCCC (=O) NO
Molecular Formula
C33H55ClN4O11
Molecular Weight
719.26 g/mol
Controlled
No

Chemical Information

2-[2-[2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylcarbamoyloxy]ethoxy]ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate
CAS Number1613617-05-2
PubChem CID86274259
IUPAC Name2-[2-[2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylcarbamoyloxy]ethoxy]ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate
Molecular FormulaC33H55ClN4O11
Molecular Weight719.3
XLogP2.3
Topological Polar Surface Area192
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count33
Heavy Atom Count49
Formal Charge0
Complexity851
SMILES
C1=CC(=CC=C1CNC(=O)OCCOCCOCCOC(=O)NCCOCCOCCCCCCCl)NC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C33H55ClN4O11/c34-15-7-3-4-8-17-44-19-20-45-18-16-35-32(41)48-25-23-46-21-22-47-24-26-49-33(42)36-27-28-11-13-29(14-12-28)37-30(39)9-5-1-2-6-10-31(40)38-43/h11-14,43H,1-10,15-27H2,(H,35,41)(H,36,42)(H,37,39)(H,38,40)
InChIKey
QJTGTGYXESVKJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-[2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylcarbamoyloxy]ethoxy]ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate
CAS: 1613617-05-2
CID: 86274259
Formula: C33H55ClN4O11
MW: 719.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight719.3
XLogP32.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count33
Exact Mass718.3555863
Monoisotopic Mass718.3555863
Topological Polar Surface Area192 Ų
Heavy Atom Count49
Formal Charge0
Complexity851
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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