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(2S,3S,4S,5S,6R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol hydrochloride

(2S,3S,4S,5S,6R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol hydrochloride

CAS: 210049-18-6

Formula: C12H18ClNO6

SMILES: Cl.NC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C1

IUPAC: (2S,3S,4S,5S,6R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol hydrochloride

InChI: InChI=1S/C12H17NO6.ClH/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12;/h1-4,8-12,14-17H,5,13H2;1H/t8-,9+,10+,11+,12-;/m1./s1

Composition: C (46.84%), H (5.90%), Cl (11.52%), N (4.55%), O (31.19%)

Molar Mass: 307.73

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 307.082265
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 5
InChIKey FNHHYVPLSLTGMP-BTIVEGDLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.88
Topological Polar Surface Area 125.4
Polarizability 25.78
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 210049-18-6 $1,526.63-$3,145.37$1,526.63$3,145.37
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Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 210049-18-6 $1,528.35-$3,203.90$1,528.35$3,203.90
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