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methyl (2S,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-(4-formyl-2-nitrophenoxy)oxane-2-carboxylate

methyl (2S,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-(4-formyl-2-nitrophenoxy)oxane-2-carboxylate

CAS: 148579-93-5

Formula: C20H21NO13

SMILES: COC(=O)[C@H]1O[C@@H](OC2=C(C=C(C=O)C=C2)[N+]([O-])=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

IUPAC: methyl (2S,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-(4-formyl-2-nitrophenoxy)oxane-2-carboxylate

InChI: InChI=1S/C20H21NO13/c1-9(23)30-15-16(31-10(2)24)18(32-11(3)25)20(34-17(15)19(26)29-4)33-14-6-5-12(8-22)7-13(14)21(27)28/h5-8,15-18,20H,1-4H3/t15-,16-,17-,18+,20+/m0/s1

Composition: C (49.70%), H (4.38%), N (2.90%), O (43.03%)

Molar Mass: 483.382

Atom Count: 55

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 483.10128974
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 0
InChIKey MHAQOFAFDHVKQE-KVIJGQROSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.18
Topological Polar Surface Area 183.87
Polarizability 42.23
Ring Count 2
Rotatable Bond Count 12

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 148579-93-5 $75.60-$567.00$75.60$141.75$283.50$567.00
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