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Lipase substrate

CAT: 0926-FD167304Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FD167304Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
195833-46-6
Synonyms
1-[2,3-Bis (dodecyloxy) propyl] 5- (6-methyl-3-oxo-3H-phenoxazin-7-yl) ester pentanedioic acid; DGGR;1,2-Di-O-lauryl-rac-gl ycero-3- (glu taric acid 6-methylresorufin ester)
MDL Number
MFCD08276995
Smiles
CCCCCCCCCCCCOCC (COC (=O) CCCC (=O) OC1=CC2=C (C=C1) N=C3C=CC (=O) C (=C3O2) C) OCCCCCCCCCCCC
Molecular Formula
C45H69NO8
Molecular Weight
752.03 g/mol
Controlled
No

Chemical Information

2,3-Bis(dodecyloxy)propyl 4-methyl-3-oxo-3H-phenoxazin-7-yl pentanedioate
CAS Number195833-46-6
PubChem CID16211907
IUPAC Name1-O-(2,3-didodecoxypropyl) 5-O-(6-methyl-7-oxophenoxazin-3-yl) pentanedioate
Molecular FormulaC45H69NO8
Molecular Weight752.0
XLogP12.7
Topological Polar Surface Area110
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count34
Heavy Atom Count54
Formal Charge0
Complexity1160
SMILES
CCCCCCCCCCCCOCC(COC(=O)CCCC(=O)OC1=CC2=C(C=C1)N=C3C=CC(=O)C(=C3O2)C)OCCCCCCCCCCCC
InChI
InChI=1S/C45H69NO8/c1-4-6-8-10-12-14-16-18-20-22-31-50-34-38(51-32-23-21-19-17-15-13-11-9-7-5-2)35-52-43(48)25-24-26-44(49)53-37-27-28-39-42(33-37)54-45-36(3)41(47)30-29-40(45)46-39/h27-30,33,38H,4-26,31-32,34-35H2,1-3H3
InChIKey
FYOMYGYHAZESGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Bis(dodecyloxy)propyl 4-methyl-3-oxo-3H-phenoxazin-7-yl pentanedioate
CAS: 195833-46-6
CID: 16211907
Formula: C45H69NO8
MW: 752.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight752.0
XLogP312.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count34
Exact Mass751.50231816
Monoisotopic Mass751.50231816
Topological Polar Surface Area110 Ų
Heavy Atom Count54
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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