2-(hydroxymethyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}oxane-3,4,5-triol

2-(hydroxymethyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}oxane-3,4,5-triol

CAS: 35785-19-4

Formula: C13H17NO7S

SMILES: OCC1OC(SCC2=CC=C(C=C2)[N+]([O-])=O)C(O)C(O)C1O

IUPAC: 2-(hydroxymethyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}oxane-3,4,5-triol

InChI: InChI=1/C13H17NO7S/c15-5-9-10(16)11(17)12(18)13(21-9)22-6-7-1-3-8(4-2-7)14(19)20/h1-4,9-13,15-18H,5-6H2

Composition: C (47.12%), H (5.17%), N (4.23%), O (33.80%), S (9.68%)

Molar Mass: 331.34

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	5
Exact Mass	331.072573065
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
InChIKey	PMQUMUZAQBRAKI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.78
Topological Polar Surface Area	133.29
Polarizability	30.79
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	35785-19-4		$780.39-$1,214.06$780.39$1,214.06