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Technical details about Lipase Substrate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 195833-46-6, Lipase substrate chromogenic, Dtxsid90583514, Lipase substrate, >=95% (hplc)
Molecular Formula
C45H69NO8
Molecular Weight
752.0  g/mol
InChI Key
FYOMYGYHAZESGQ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-O-(2,3-didodecoxypropyl) 5-O-(6-methyl-7-oxophenoxazin-3-yl) pentanedioate
2.1.2 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
2.1.3 InChI Key
FYOMYGYHAZESGQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCCOCC(COC(=O)CCCC(=O)OC1=CC2=C(C=C1)N=C3C=CC(=O)C(=C3O2)C)OCCCCCCCCCCCC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 195833-46-6

2. Lipase Substrate Chromogenic

3. Dtxsid90583514

4. Lipase Substrate, >=95% (hplc)

2.3 Create Date
2007-07-12
3 Chemical and Physical Properties
Molecular Weight 752.0 g/mol
Molecular Formula C45H69NO8
XLogP312.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count34
Exact Mass751.50231816 g/mol
Monoisotopic Mass751.50231816 g/mol
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
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