China (Mainland)
Azathramycin CAS NO.76801-85-9
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Keywords
- Azaerythromycin A
- 9-Deoxo-9a-aza-9a-homoerythromycin A
- 9-Deoxo-9a-aza-9a-homoerythromycin A
Quick Details
- ProName: Azathramycin
- CasNo: 76801-85-9
- Application: The CAS register number of Azathramyci...
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- Purity: 99
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Superiority
The CAS register number of Azathramycin is 76801-85-9. It also can be called as 9-Deoxo-9a-aza-9a-homoerythromycin A and the systematic name about this chemical is 2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexopyranoside. The molecular formula about this chemical is C37H70N2O12 and molecular weight is 734.96. It belongs to the following product categories which include Intermediates & Fine Chemicals; Pharmaceuticals and so on.
Physical properties about Azathramycin are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 7.4): 0.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.16; (8)#H bond acceptors: 14; (9)#H bond donors: 6; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 188.87Å2; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 192.7 cm3; (14)Molar Volume: 617.8 cm3; (15)Polarizability: 76.39x10-24cm3; (16)Surface Tension: 50.7 dyne/cm; (17)Flash Point: 446.8 °C; (18)Enthalpy of Vaporization: 134.9 kJ/mol; (19)Boiling Point: 815.2 °C at 760 mmHg; (20)Vapour Pressure: 8.8E-31 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)C3CC(C)OC(OC2C(C)C(OC1CC(C)(OC)C(O)C(C)O1)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)NCC(C)CC2(C)O)C3O
(2)InChI: InChI=1/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3
(3)InChIKey: HRKNNHYKWGYTEN-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3
(5)Std. InChIKey: HRKNNHYKWGYTEN-UHFFFAOYSA-N
Details
The CAS register number of Azathramycin is 76801-85-9. It also can be called as 9-Deoxo-9a-aza-9a-homoerythromycin A and the systematic name about this chemical is 2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexopyranoside. The molecular formula about this chemical is C37H70N2O12 and molecular weight is 734.96. It belongs to the following product categories which include Intermediates & Fine Chemicals; Pharmaceuticals and so on.
Physical properties about Azathramycin are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 7.4): 0.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.16; (8)#H bond acceptors: 14; (9)#H bond donors: 6; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 188.87Å2; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 192.7 cm3; (14)Molar Volume: 617.8 cm3; (15)Polarizability: 76.39x10-24cm3; (16)Surface Tension: 50.7 dyne/cm; (17)Flash Point: 446.8 °C; (18)Enthalpy of Vaporization: 134.9 kJ/mol; (19)Boiling Point: 815.2 °C at 760 mmHg; (20)Vapour Pressure: 8.8E-31 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)C3CC(C)OC(OC2C(C)C(OC1CC(C)(OC)C(O)C(C)O1)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)NCC(C)CC2(C)O)C3O
(2)InChI: InChI=1/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3
(3)InChIKey: HRKNNHYKWGYTEN-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3
(5)Std. InChIKey: HRKNNHYKWGYTEN-UHFFFAOYSA-N