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4-[(1R,4S,6R,7R,8S,11R,12S,13S)-1,7,11-trimethyl-3,5,14,15-tetraoxatetracyclo[10.3.1.0?,¹³.0?,¹³]hexadecan-6-yl]-1??-thiomorpholine-1,1-dione

4-[(1R,4S,6R,7R,8S,11R,12S,13S)-1,7,11-trimethyl-3,5,14,15-tetraoxatetracyclo[10.3.1.0?,¹³.0?,¹³]hexadecan-6-yl]-1??-thiomorpholine-1,1-dione

CAS: 255730-18-8

Formula: C19H31NO6S

SMILES: C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H]3OC[C@@]4(C)C[C@@H]1[C@]23OO4)N1CCS(=O)(=O)CC1

IUPAC: 4-[(1R,4S,6R,7R,8S,11R,12S,13S)-1,7,11-trimethyl-3,5,14,15-tetraoxatetracyclo[10.3.1.0?,¹³.0?,¹³]hexadecan-6-yl]-1??-thiomorpholine-1,1-dione

InChI: InChI=1S/C19H31NO6S/c1-12-4-5-14-13(2)16(20-6-8-27(21,22)9-7-20)24-17-19(14)15(12)10-18(3,11-23-17)25-26-19/h12-17H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19-/m1/s1

Composition: C (56.84%), H (7.78%), N (3.49%), O (23.91%), S (7.98%)

Molar Mass: 401.52

Atom Count: 58

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 8
Exact Mass 401.187208896
Formal Charge 0
FSP3 1
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 0
InChIKey YHVQDGXHTCSGBJ-RPEQJJBSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.08
Topological Polar Surface Area 74.3
Polarizability 40.64
Ring Count 5
Rotatable Bond Count 1

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 255730-18-8 $236.20-$2,676.16$236.20$372.26$669.61$1,105.32$1,783.35$2,676.16
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