Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Taltobulin |
EINECS | N/A |
CAS No. | 228266-40-8 | Density | 1.063 g/cm3 |
PSA | 98.74000 | LogP | 4.37880 |
Solubility | N/A | Melting Point |
135-137 °C |
Formula | C27H43N3O4 | Boiling Point | 662.4 °C at 760 mmHg |
Molecular Weight | 473.656 | Flash Point | 354.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
L-Valinamide,N,b,b-trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-butenyl]-N,3-dimethyl-(9CI);HTI 286;SPA 110;Taltobulin; |
Article Data | 2 |
The CAS register number of Taltobulin is 228266-40-8. It also can be called as L-Valinamide, N,beta,beta-trimethyl-L-phenylalanyl-N-((1S,2E)-3-carboxy-1-(1-methylethyl)-2-butenyl)-N,3-dimethyl- and the IUPAC name about this chemical is (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid. The molecular formula about this chemical is C27H43N3O4 and molecular weight is 473.65. Classification code about this chemical is Treatment of solid tumors.
Physical properties about Taltobulin are: (1)ACD/LogP: 4.80; (2)#H bond acceptors: 7; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 11; (5)Polar Surface Area: 70.16Å2; (6)Index of Refraction: 1.52; (7)Molar Refractivity: 135.63 cm3; (8)Molar Volume: 445.4 cm3; (9)Polarizability: 53.76x10-24cm3; (10)Surface Tension: 39 dyne/cm; (11)Flash Point: 354.4 °C; (12)Enthalpy of Vaporization: 102.38 kJ/mol; (13)Boiling Point: 662.4 °C at 760 mmHg; (14)Vapour Pressure: 1.9E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C(=C\[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC)C(c1ccccc1)(C)C)C(C)(C)C)C)C(C)C)C
(2)InChI: InChI=1/C27H43N3O4/c1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19/h11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34)/b18-16+/t20-,21-,22-/m1/s1
(3)InChIKey: CNTMOLDWXSVYKD-PSRNMDMQBX
(4)Std. InChI: InChI=1S/C27H43N3O4/c1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19/h11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34)/b18-16+/t20-,21-,22-/m1/s1
(5)Std. InChIKey: CNTMOLDWXSVYKD-PSRNMDMQSA-N