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

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

CAS: 198215-62-2

Formula: C12H21NO9S

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

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

InChI: InChI=1S/C12H21NO9S/c1-10(2)21-9-8-7(19-11(3,5-14)20-8)4-17-12(9,22-10)6-18-23(13,15)16/h7-9,14H,4-6H2,1-3H3,(H2,13,15,16)/t7-,8-,9+,11-,12+/m1/s1

Composition: C (40.56%), H (5.96%), N (3.94%), O (40.52%), S (9.02%)

Molar Mass: 355.36

Atom Count: 44

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 355.093702434
Formal Charge 0
FSP3 1
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 2
InChIKey RWNDWLAEFHRSEG-VZSYODPGSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.68
Topological Polar Surface Area 135.77
Polarizability 31.15
Ring Count 3
Rotatable Bond Count 4

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Purity (%)
-
Ships Within
Days
Packet Size
CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 198215-62-2 $231.54-$1,847.22$231.54$449.82$1,087.32$1,847.22
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