- Product Details
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
- ProName: (2E)-3-De[2-[acetyl(methyl)amino]-1-ox...
- CasNo: 52978-28-6
- Molecular Formula: C28H35ClN2O7
- Appearance: Liquid
- Application: Organic Chemicals
- DeliveryTime: as client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 100 Kilogram/Month
- Purity: 99%
- Storage: Room Temperature
- Transportation: as requested
- LimitNum: 1 Gram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
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