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chitin

chitin

CAS: 1398-61-4

Formula: C16H28N2O11(C8H13NO5)n

SMILES: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O

IUPAC: chitin

InChI: InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-

Composition: C (45.93%), H (6.59%), N (6.70%), O (40.79%)

Molar Mass: N/A

Atom Count: -1

Heavy Atom Count: 0

Properties
Properties
Common Names chitin
Aromatic Ring Count 0
Asymmetric Atom Count 15
Exact Mass N/A
Formal Charge 0
FSP3 0.87
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 16
Hydrogen Bond Donor Count 11
InChIKey WZZVUHWLNMNWLW-VFCSDQTKSA-N
Lipinski's Rule of Five
Molar Refractivity 134.05
Topological Polar Surface Area 295.29
Polarizability 55.52
Ring Count 3
Rotatable Bond Count 10

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Purity LeadTime CAS UnitPrice
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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 1398-61-4 $15.30-$113.22$15.30$27.54$39.78$66.30$113.22
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