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35208-55-0

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Basic Information
CAS No.: 35208-55-0
Name: Clindamycin palmitate
Molecular Structure:
Molecular Structure of 35208-55-0 (Clindamycin palmitate)
Formula: C34H63ClN2O6S
Molecular Weight: 699.8528
Density: 1.12 g/cm3
Boiling Point: 749.1 °C at 760 mmHg
Flash Point: 406.8 °C
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Specification

The Clindamycin palmitate, with the CAS registry number of 35208-55-0, is also known as Methyl (2S-trans)-7-chloro-6,7,8-trideoxy-6-(((1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-L-threo-α-D-galacto-octopyranoside, monopalmitate (ester). Its EINECS registry number is 252-442-0. This chemical's molecular formula is C34H63ClN2O6S and molecular weight is 663.391820. What's more, its IUPAC name is [6-[2-Chloro-1-[[(4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] hexadecanoate.

Physical properties about the Clindamycin palmitate are: (1)ACD/LogP: 9.25; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.54; (4)ACD/LogD (pH 7.4): 8.18; (5)ACD/BCF (pH 5.5): 12239.01; (6)ACD/BCF (pH 7.4): 531059.81; (7)ACD/KOC (pH 5.5): 4971.23; (8)ACD/KOC (pH 7.4): 215705.56; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 25; (12)Polar Surface Area: 102.84 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 182.36 cm3; (15)Molar Volume: 590.1 cm3; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.12 g/cm3; (18)Flash Point: 406.8 °C; (19)Enthalpy of Vaporization: 124.59 kJ/mol; (20)Boiling Point: 749.1 °C at 760 mmHg; (21)Vapour Pressure: 6.72E-26 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(C)C(NC(=O)C1N(C)C[C@H](CCC)C1)C2OC(SC)C(OC(=O)CCCCCCCCCCCCCCC)C(O)C2O
(2) InChI: InChI=1/C34H63ClN2O6S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41)/t24?,25-,26?,28?,29?,30?,31?,32?,34?/m1/s1
(3) InChIKey: OYSKUZDIHNKWLV-CXOOOYNYBU