Name: DELTORPHIN II
SKU: 122752-16-3

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Basic Information

Molecular Structure:
CAS No.:	122752-16-3
Name:	DELTORPHIN II

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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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