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59763-91-6

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Basic Information
CAS No.: 59763-91-6
Name: PANCREATIC POLYPEPTIDE, HUMAN
Molecular Structure:
Molecular Structure of 59763-91-6 (PANCREATIC POLYPEPTIDE, HUMAN)
Formula: C31H24O3
Molecular Weight: 444.5205
Synonyms: Pancreatichormone III;
Density: 1.272g/cm3
Melting Point: 154-155oC
Boiling Point: 612.8 °C at 760 mmHg
Flash Point: 204.3 °C
PSA: 50.44000
LogP: 7.02750
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Specification

The Pancreatic polypeptide, with CAS registry number 59763-91-6, belongs to the following product category: peptide. It has the systematic name of 3-[3-(biphenyl-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxy-4H-chromen-4-one. classification codes are Gastrointestinal Agents, Hormones and Hormones, Hormone Substitutes, and Hormone Antagonists. And the chemical formula of this chemical is C31H24O3.

Physical properties of Pancreatic polypeptide: (1)ACD/LogP: 7.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.95; (4)ACD/LogD (pH 7.4): 5.18; (5)ACD/BCF (pH 5.5): 63217.95; (6)ACD/BCF (pH 7.4): 1090.53; (7)ACD/KOC (pH 5.5): 48132.39; (8)ACD/KOC (pH 7.4): 830.3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 131.46 cm3; (15)Molar Volume: 349.4 cm3; (16)Polarizability: 52.11×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.272 g/cm3; (19)Flash Point: 204.3 °C; (20)Enthalpy of Vaporization: 95.64 kJ/mol; (21)Boiling Point: 612.8 °C at 760 mmHg; (22)Vapour Pressure: 7.13E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c6c(OC(/O)=C/1C5c2ccccc2CC(c4ccc(c3ccccc3)cc4)C5)cccc6
(2)InChI: InChI=1/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,33H,18-19H2
(3)InChIKey: NZOWVZVFSVRNOR-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,33H,18-19H2
(5)Std. InChIKey: NZOWVZVFSVRNOR-UHFFFAOYSA-N