CAS No.55749-97-8,LITORIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55749-97-8
Name:	LITORIN

Formula:	C₅₁H₆₈N₁₄O₁₁S
Molecular Weight:	1085.2378
Synonyms:	Ranatensin,2-de-L-valine-3-de-L-proline-;L-Methioninamide,5-oxo-L-prolyl-L-glutaminyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-phenylalanyl-;Litorin;Litorine;5-oxo-L-prolyl-L-glutaminyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-phenylalanyl-L-methioninamide;Ranatesin, 2-de-L-valine-3-de-L-proline-;
Density:	1.34 g/cm³
Boiling Point:	1693.3 °C at 760 mmHg
Flash Point:	977.9 °C
Appearance:	White powder
PSA:	417.85000
LogP:	2.74370

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Specification

The Litorin (peptide) (9CI), with the CAS registry number 55749-97-8, has the systematic name of 5-oxo-L-prolyl-L-glutaminyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-phenylalanyl-L-methioninamide. It belongs to the following product categories: Peptide; Neuromedins and related. And the molecular formula of the chemical is C₅₁H₆₈N₁₄O₁₁S. What's more, it should be stored at -15°C.

The characteristics of Litorin (peptide) (9CI) are as followings: (1)ACD/LogP: -1.04; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2.23; (4)ACD/LogD (pH 7.4): -1.11; (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): 5.45; (9)#H bond acceptors: 25; (10)#H bond donors: 15; (11)#Freely Rotating Bonds: 30; (12)Polar Surface Area: 271.46 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 282.87 cm³; (15)Molar Volume: 809.7 cm³; (16)Polarizability: 112.14×10^-24cm³; (17)Surface Tension: 66.4 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 977.9 °C; (20)Enthalpy of Vaporization: 270.87 kJ/mol; (21)Boiling Point: 1693.3 °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)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)CCC(=O)N)Cc3c2ccccc2nc3)C)C(C)C)Cc4cncn4)Cc5ccccc5)CCSC
(2)InChI: InChI=1/C51H68N14O11S/c1-27(2)43(51(76)56-25-42(68)60-39(22-31-24-54-26-57-31)50(75)63-37(20-29-10-6-5-7-11-29)49(74)61-34(44(53)69)18-19-77-4)65-45(70)28(3)58-48(73)38(21-30-23-55-33-13-9-8-12-32(30)33)64-47(72)36(14-16-40(52)66)62-46(71)35-15-17-41(67)59-35/h5-13,23-24,26-28,34-39,43,55H,14-22,25H2,1-4H3,(H2,52,66)(H2,53,69)(H,54,57)(H,56,76)(H,58,73)(H,59,67)(H,60,68)(H,61,74)(H,62,71)(H,63,75)(H,64,72)(H,65,70)/t28-,34-,35-,36-,37-,38-,39-,43-/m0/s1
(3)InChIKey: OHCNRADJYUSTIV-FPNHNIPFBY