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benzyl N-[(3S,4S)-3-hydroxyoxan-4-yl]carbamate

benzyl N-[(3S,4S)-3-hydroxyoxan-4-yl]carbamate

CAS: 2442565-27-5

Formula: C13H17NO4

SMILES: O[C@@H]1COCC[C@@H]1NC(=O)OCC1=CC=CC=C1

IUPAC: benzyl N-[(3S,4S)-3-hydroxyoxan-4-yl]carbamate

InChI: InChI=1S/C13H17NO4/c15-12-9-17-7-6-11(12)14-13(16)18-8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,14,16)/t11-,12+/m0/s1

Composition: C (62.14%), H (6.82%), N (5.57%), O (25.47%)

Molar Mass: 251.282

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 251.115758031
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NNPZVJYFQGRHEV-NWDGAFQWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.17
Topological Polar Surface Area 67.79
Polarizability 25.73
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 2442565-27-5 $342.70-$7,912.00$342.70$457.70$687.70$1,147.70$2,162.00$7,912.00
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