[4-(acetyloxy)-5-acetamido-6-(4-nitrophenoxy)-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

[4-(acetyloxy)-5-acetamido-6-(4-nitrophenoxy)-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

CAS: 85193-88-0

Formula: C32H40N2O19

SMILES: CC(=O)NC1C(OC2=CC=C(C=C2)[N+]([O-])=O)OC(COC(C)=O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

IUPAC: [4-(acetyloxy)-5-acetamido-6-(4-nitrophenoxy)-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

InChI: InChI=1/C32H40N2O19/c1-14(35)33-25-28(47-18(5)39)26(23(12-44-15(2)36)51-31(25)50-22-10-8-21(9-11-22)34(42)43)53-32-30(49-20(7)41)29(48-19(6)40)27(46-17(4)38)24(52-32)13-45-16(3)37/h8-11,23-32H,12-13H2,1-7H3,(H,33,35)

Composition: C (50.80%), H (5.33%), N (3.70%), O (40.17%)

Molar Mass: 756.667

Atom Count: 93

Heavy Atom Count: 53

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	10
Exact Mass	756.222527076
Formal Charge	0
FSP3	0.59
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	1
InChIKey	LXUSBVSVBLRAJQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	164.93
Topological Polar Surface Area	266.96
Polarizability	67.85
Ring Count	3
Rotatable Bond Count	20

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	85193-88-0		$788.67-$1,214.06$788.67$1,214.06