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| CAS No.: | 122752-16-3 |
|---|---|
| Name: | DELTORPHIN II |
| Molecular Structure: | |
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| Formula: | C38H54N8O10 |
| Molecular Weight: | 782.894 |
| Synonyms: | DeltorphinC, 4-L-glutamic acid-;165: PN: US20030176421 PAGE: 54-55 claimed sequence;4:PN: US6294519 SEQID: 4 claimed protein;Deltorphin 2;Deltorphin II;Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-L-a-glutamyl-L-valyl-L-valyl-;[D-Ala2]Deltorphin II;L-tyrosyl-D-alanyl-L-phenylalanyl-L-alpha-glutamylvalyl-L-valylglycinamide;(Ala(2))deltorphin II;(Ala(2),glu(4))deltorphin;Delt II;Deltorphin II; |
| Density: | 1.272 g/cm3 |
| Boiling Point: | 1256.2 °C at 760 mmHg |
| Flash Point: | 713.5 °C |
| PSA: | 301.24000 |
| LogP: | 2.47290 |
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- Total:22 Page 1 of 1 1
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Specification
The Deltorphin B (9CI), with the CAS registry number 122752-16-3, has the systematic name of L-tyrosyl-D-alanyl-L-phenylalanyl-L-alpha-glutamylvalyl-L-valylglycinamide. It belongs to the product categories of Opioid receptor and opioid-like receptor. And the molecular formula of the chemical is C38H54N8O10. What's more, it should be stored at -20°C.
The characteristics of Deltorphin B (9CI) are as followings: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.93; (4)ACD/LogD (pH 7.4): -2.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 18; (10)#H bond donors: 12; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 180.94 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 203.44 cm3; (15)Molar Volume: 615.2 cm3; (16)Polarizability: 80.65×10-24cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.272 g/cm3; (19)Flash Point: 713.5 °C; (20)Enthalpy of Vaporization: 196.4 kJ/mol; (21)Boiling Point: 1256.2 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C)Cc2ccccc2)CCC(=O)O)C(C)C)C(C)C
(2)InChI: InChI=1/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32?/m1/s1
(3)InChIKey: NUNBRHVOPFWRRG-MPNDMYOWBZ