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[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,?]dodecan-6-yl]methyl N-methylsulfamate

[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,?]dodecan-6-yl]methyl N-methylsulfamate

CAS: 97240-80-7

Formula: C13H23NO8S

SMILES: [H][C@@]12CO[C@@]3(COS(=O)(=O)NC)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2

IUPAC: [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,?]dodecan-6-yl]methyl N-methylsulfamate

InChI: InChI=1S/C13H23NO8S/c1-11(2)19-8-6-17-13(7-18-23(15,16)14-5)10(9(8)20-11)21-12(3,4)22-13/h8-10,14H,6-7H2,1-5H3/t8-,9-,10+,13+/m1/s1

Composition: C (44.18%), H (6.56%), N (3.96%), O (36.22%), S (9.07%)

Molar Mass: 353.39

Atom Count: 46

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 353.114437879
Formal Charge 0
FSP3 1
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 1
InChIKey LDHJVCCWWXVXBN-DNJQJEMRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.2
Topological Polar Surface Area 101.55
Polarizability 32.26
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 97240-80-7 $489.60-$2,314.38$489.60$756.84$1,201.56$2,314.38
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97% <14 Days 97240-80-7 $138.72-$1,108.74$138.72$507.96$1,108.74
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