1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-nitrophenyl)propan-1-one

1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-nitrophenyl)propan-1-one

CAS: 82628-84-0

Formula: C21H23NO11

SMILES: OCC1OC(OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(C=C2)[N+]([O-])=O)C(O)C(O)C1O

IUPAC: 1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-nitrophenyl)propan-1-one

InChI: InChI=1/C21H23NO11/c23-9-16-18(27)19(28)20(29)21(33-16)32-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(5-2-10)22(30)31/h1-2,4-5,7-8,16,18-21,23-24,26-29H,3,6,9H2

Composition: C (54.20%), H (4.98%), N (3.01%), O (37.81%)

Molar Mass: 465.411

Atom Count: 56

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	5
Exact Mass	465.127110565
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	6
InChIKey	UZMKMTNQYIJXTD-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	110.19
Topological Polar Surface Area	200.05
Polarizability	43.02
Ring Count	3
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	82628-84-0		$1,550.43-$3,335.81$1,550.43$3,335.81