CAS No.63775-96-2,CYCLOSPORIN D Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63775-96-2
Name:	CYCLOSPORIN D

Formula:	C₆₃H₁₁₃N₁₁O₁₂
Molecular Weight:	1216.66
Synonyms:	Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-valyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl];33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, 33-[(4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-3,21,30-tris(1-methylethyl)-6,9,18,24-tetrakis(2-methylpropyl)-;Cyclosporin A, 7-L-valine-;
EINECS:	200-835-2
Density:	1.015 g/cm³
Melting Point:	148-1510 °C
Boiling Point:	1294.741 °C at 760 mmHg
Flash Point:	736.833 °C
Solubility:	Soluble in 100% ethanol, acetone or ethyl acetate and insoluble in water.
Appearance:	Colorless Crystalline Solid
Hazard Symbols:	F,Xn,T
Risk Codes:	11-20/21/22-36-39/23/24/25-23/24/25
Safety:	16-36/37-45-7
PSA:	275.64000
LogP:	4.60370

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Specification

The CAS register number of Cyclosporin D is 63775-96-2. It also can be called as Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-valyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl] and the IUPAC name about this chemical is (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone. The molecular formula about this chemical is C₆₃H₁₁₃N₁₁O₁₂and the molecular weight is 1216.66. It belongs to the following product categories which include Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Peptides; Pharmaceuticals and so on.

Physical properties about Cyclosporin D are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 380; (6)ACD/BCF (pH 7.4): 380; (7)ACD/KOC (pH 5.5): 2445; (8)ACD/KOC (pH 7.4): 2445; (9)#H bond acceptors: 23; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 278.8Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 333.369 cm³; (15)Molar Volume: 1198.163 cm³; (16)Polarizability: 132.158x10^-24cm³; (17)Surface Tension: 31.779 dyne/cm; (18)Enthalpy of Vaporization: 218.704 kJ/mol; (19)Boiling Point: 1294.741 °C at 760 mmHg .

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C\C=C\C)C(O)C1C(=O)NC(C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C)C(C)C
(2)InChI: InChI=1/C63H113N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-53,76H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+
(3)InChIKey: ZNVBEWJRWHNZMK-CYYJNZCTBR
(4)Std. InChI: InChI=1S/C63H113N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-53,76H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+
(5)Std. InChIKey: ZNVBEWJRWHNZMK-CYYJNZCTSA-N