(2E)-3-De[2-[acetyl...

(2E)-3-De[2-[acetyl(methyl)amino]-1-oxopropoxy]-2,3-didehydromaytansine 52978-28-6

(2E)-3-De[2-[acetyl(methyl)amino]-1-oxopropoxy]-2,3-didehydromaytansine 52978-28-6

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1 Gram

Negotiable

  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

Keywords

Maytansine, 3-de(2-(acetylmethylamino)-1-oxopropoxy)-2,3-didehydro-, (2E)- (2E)-3-De[2-[acetyl(methyl)amino]-1-oxopropoxy]-2,3-didehydromaytansine 52978-28-6

Quick Details

  • Appearance:Liquid
  • 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】
(2E)-3-De[2-[acetyl(methyl)amino]-1-oxopropoxy]-2,3-didehydromaytansine
【CAS Registry number】
52978-28-6
【Synonyms】
(2E)-3-De[2-[acetyl(methyl)amino]-1-oxopropoxy]-2,3-didehydromaytansine
Maysine
【Molecular Formula】
C28H35ClN2O7 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C28H35ClN2O7/c1-16-8-7-9-22(36-6)28(34)15-21(37-26(33)30-28)17(2)25-27(3,38-25)11-10-23(32)31(4)19-13-18(12-16)14-20(35-5)24(19)29/h7-11,13-14,17,21-22,25,34H,12,15H2,1-6H3,(H,30,33)/b9-7+,11-10-,16-8-
【Canonical SMILES】
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C=CC4(C1O4)C)C)C)OC)(NC(=O)O2)O
【Isomers smiles】
CC1C2CC(C(/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)/C=C\C4(C1O4)C)C)\C)OC)
(NC(=O)O2)O
Chemical and Physical Properties
【Density】
1.32g/cm3
【Boiling Point】
738.6°C at 760 mmHg
【Refractive Index】
1.607
【Flash Point】
400.5°C
【Computed Properties】
Molecular Weight:547.0397 [g/mol]
Molecular Formula:C28H35ClN2O7
XLogP3:2.5
H-Bond Donor:2
H-Bond Acceptor:7
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:546.213279
MonoIsotopic Mass:546.213279
Topological Polar Surface Area:110
Heavy Atom Count:38
Formal Charge:0
Complexity:1000
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:3
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

 

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