(2S,4aS,6S,7R,8S,8aS)-8-hydroxy-6-(4-nitrophenoxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl benzoate

(2S,4aS,6S,7R,8S,8aS)-8-hydroxy-6-(4-nitrophenoxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl benzoate

CAS: 94063-92-0

Formula: C26H23NO9

SMILES: O[C@@H]1[C@@H](OC(=O)C2=CC=CC=C2)[C@H](OC2=CC=C(C=C2)[N+]([O-])=O)O[C@H]2CO[C@@H](O[C@@H]12)C1=CC=CC=C1

IUPAC: (2S,4aS,6S,7R,8S,8aS)-8-hydroxy-6-(4-nitrophenoxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl benzoate

InChI: InChI=1S/C26H23NO9/c28-21-22-20(15-32-25(36-22)17-9-5-2-6-10-17)34-26(33-19-13-11-18(12-14-19)27(30)31)23(21)35-24(29)16-7-3-1-4-8-16/h1-14,20-23,25-26,28H,15H2/t20-,21-,22-,23+,25-,26+/m0/s1

Composition: C (63.28%), H (4.70%), N (2.84%), O (29.18%)

Molar Mass: 493.468

Atom Count: 59

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	6
Exact Mass	493.137281325
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	VNTMIDIVOUQVNN-POXULCJJSA-N
Lipinski's Rule of Five
Molar Refractivity	123.21
Topological Polar Surface Area	126.59
Polarizability	48.84
Ring Count	5
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	94063-92-0		$780.39-$1,214.06$780.39$1,214.06