CAS No.92689-49-1,annamycin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	92689-49-1
Name:	annamycin
Article Data:	2

Formula:	C₂₆H₂₅IO₁₁
Molecular Weight:	640.382
Synonyms:	5,12-Naphthacenedione,7-[(2,6-dideoxy-2-iodo-a-L-mannopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-,(7S,9S)- (9CI);Annamycin;
Density:	1.94 g/cm³
Boiling Point:	822.1 °C at 760 mmHg
Flash Point:	451 °C
PSA:	191.05000
LogP:	0.43980

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Specification

The Annamycin with the CAS number 92689-49-1 is also called 5,12-Naphthacenedione,7-[(2,6-dideoxy-2-iodo-a-L-mannopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-,(7S,9S)-. The systematic name is (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,6-dideoxy-2-iodo-α-L-mannopyranoside. Its molecular formula is C₂₆H₂₅IO₁₁. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 4.80; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 4.79; (4)ACD/LogD (pH 7.4): 4.54; (5)ACD/BCF (pH 5.5): 2581.55; (6)ACD/BCF (pH 7.4): 1429.65; (7)ACD/KOC (pH 5.5): 9606.69; (8)ACD/KOC (pH 7.4): 5320.14; (9)#H bond acceptors: 11; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 125.05Å²; (13)Index of Refraction: 1.763; (14)Molar Refractivity: 135.97 cm³; (15)Molar Volume: 329.1 cm³; (16)Polarizability: 53.9×10^-24cm³; (17)Surface Tension: 106.4 dyne/cm; (18)Enthalpy of Vaporization: 125.27 kJ/mol; (19)Vapour Pressure: 1.31×10^-28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(O)c5c(c(O)c1C(=O)c3ccccc23)C[C@@](O)(C(=O)CO)C[C@@H]5O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4I)C
(2)InChI: InChI=1/C26H25IO11/c1-9-19(30)24(35)18(27)25(37-9)38-13-7-26(36,14(29)8-28)6-12-15(13)23(34)17-16(22(12)33)20(31)10-4-2-3-5-11(10)21(17)32/h2-5,9,13,18-19,24-25,28,30,33-36H,6-8H2,1H3/t9-,13-,18+,19-,24-,25-,26-/m0/s1
(3)InChIKey: CIDNKDMVSINJCG-GKXONYSUBQ