SynonymSCLEROGLUCAN, SCLEROTIUM GUM, Betasizofiran, EINECS 254-464-6, Scleroglucan or poly(-3(O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-O-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-) produced by Sclerotium rolfsii. Relative molecular mass is about 5.10(sup 6), UNII-2X51AD1X3T, Systematic Name Scleroglucan, Registry Numbers ?CAS Registry Number 39464-87-4, FDA UNII 2X51AD1X3T, Other Registry Numbers 51938-33-1, 53023-86-2, 53568-37-9, 65339-89-1, 81138-36-5, System Generated Number 0039464874, Molecular Formulas ?Molecular Formulas (C24-H40-O20)mult-, Unspecified, Molecular Formula Fragments C24-H40-O20, COMPONENT, Scleroglucan
EINECS254-464-6
SMILESO[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O*)O)CO)O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO)*
Molecular weight303.35
EINECS200-090-3
SMILESCN1[C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4
InChI1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12?,13?,14?,15-,16+
Vapor Pressure7.18E-09 mm Hg
Water solubility1.00E+05 mg/L
pKa Dissociation Constant7.75
Atmospheric OH Rate Constant5.97E-11 cm3/molecule-sec
log P (octanol-water)0.98
Henry's Law Constant3.36E-16 atm-m3/mole
Melting Point59 ° C
Molecular weight398.29
EINECS205-844-5
SMILES[Br-].C[N+]1(C)[C@@H]2CC(C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4
log P (octanol-water)-2.580
Atmospheric OH Rate Constant5.50E-11 cm3/molecule-sec