chempirical

Chondroitin sulfate

C13H21NO15SCAS 9007-28-7463.36 g/mol

Open in Covalent MOL file
OHNOHOOSOOHOOHOOOOHOHOHOH
AcetalAlcoholAmideCarboxylic acidEther

Properties

Molecular formula
C13H21NO15S
Molar mass
463.36 g/mol
Exact mass
463.0632 Da
logP
-5.38Crippen estimate
Polar surface area
258.8 Ų
H-bond donors / acceptors
8 / 13
Rotatable bonds
6
Stereocentres
R, R, R, R, R, R, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
9007-28-7
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChIKey
KXKPYJOVDUMHGS-OSRGNVMNSA-N
InChI
InChI=1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1

Weigh it out

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Names and synonyms

14 names · show all
  • Chondroitin, hydrogen sulfate
  • Chondroitinsulfuric acids
  • Chondroitinsulfuric acid
  • Chondroitin sulphate
  • Chondroitin polysulfate
  • Chonsurid
  • Cosamin DS
  • Uracyst S 400
  • Chondroitin Q
  • ChondroGuard
  • Mucosatum
  • Marine cartilage 40S
  • Marine chondroitin
  • SCP-NBC

Work with Chondroitin sulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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