Dodecanoic acid,[2,...

Dodecanoic acid,[2,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a] 53758-33-1

Dodecanoic acid,[2,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a] 53758-33-1

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

Dodecanoic acid,[2,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a] 53758-33-1 C33H55 N3 O6 . Cl H

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
Dodecanoic acid,[2,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl]methylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI)
【Iupac name】
(3-dodecanoyloxy-6-imino-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,
4-a]pyrimidin-2-yl)methyl dodecanoate
【CAS Registry number】
53758-33-1
【Synonyms】
6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine,dodecanoic acid deriv.
NSC 281723
【Molecular Formula】
C33H55 N3 O6 . Cl H (Products with the same molecular formula)
【Molecular Weight】
589.8063
【Inchi】
InChI=1/C33H55N3O6/c1-3-5-7-9-11-13-15-17-19-21-28(37)39-25-26-30(31-32(40-26)36-24-23-27(34)35-33(36)42-31)41-29(38)22-20-18-16-14-12-10-8-6-4-2/h23-24,26,30-32,34H,3-22,25H2,1-2H3/b34-27+
【Canonical SMILES】
CCCCCCCCCCCC(=O)OCC1C(C2C(O1)N3C=CC(=N)N=C3O2)OC(=O)CCCCCCCCCCC
Chemical and Physical Properties
【Density】
1.16g/cm3
【Boiling Point】
637.4°C at 760 mmHg
【Refractive Index】
1.553
【Flash Point】
339.3°C
【Computed Properties】
Molecular Weight:589.8063 [g/mol]
Molecular Formula:C33H55N3O6
XLogP3:8.5
H-Bond Donor:1
H-Bond Acceptor:7
Rotatable Bond Count:25
Exact Mass:589.409087
MonoIsotopic Mass:589.409087
Topological Polar Surface Area:111
Heavy Atom Count:42
Formal Charge:0
Complexity:891
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

 

 

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