N-Acetylchitohexaose

CAS Registry Number®

38854-46-5

CAS Name

N-Acetylchitohexaose

Molecular Formula

C48H80N6O31

Molecular Mass

1237.17

Cite this Page

N-Acetylchitohexaose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38854-46-5 (retrieved 2024-12-20) (CAS RN: 38854-46-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H80N6O31/c1-14(62)49-20(7-55)32(69)39(21(68)8-56)81-45-28(51-16(3)64)35(72)41(23(10-58)77-45)83-47-30(53-18(5)66)37(74)43(25(12-60)79-47)85-48-31(54-19(6)67)38(75)42(26(13-61)80-48)84-46-29(52-17(4)65)36(73)40(24(11-59)78-46)82-44-27(50-15(2)63)34(71)33(70)22(9-57)76-44/h7,20-48,56-61,68-75H,8-13H2,1-6H3,(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,53,66)(H,54,67)/t20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-/m0/s1

InChIKey

InChIKey=FUHDMRPNDKDRFE-LPUYKFNUSA-N

SMILES

O([C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@H]2[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@H]3[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](CO)O2)[C@@H](CO)O1)[C@@H]4[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO)O[C@@H](O[C@@H]([C@@H]([C@@H](NC(C)=O)C=O)O)[C@@H](CO)O)[C@H](NC(C)=O)[C@H]5O)[C@H](NC(C)=O)[C@H]4O

Canonical SMILES

O=CC(NC(=O)C)C(O)C(OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5NC(=O)C)C(O)C4NC(=O)C)C(O)C3NC(=O)C)C(O)C2NC(=O)C)C(O)C1NC(=O)C)C(O)CO

Other Names for this Substance

  • D-Glucose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-
  • Chitohexaose, hexa-N-acetyl-
  • O-2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucose
  • Hexa-N-acetylchitohexaose
  • N-Acetylchitohexaose

Deleted or Replaced CAS Registry Numbers

49539-29-9, 104301-71-5, 108259-99-0, 252990-17-3, 1800047-62-4

CAS INSIGHTSTM
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