structural formula
| business number | 03dh |
|---|---|
| molecular formula | c7h6o4 |
| molecular weight | 154.12 |
| label |
(-)-terreic acid, terreic acid, (1r)-3-hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 2-hydroxy-3-methyl-1,4-benzoquinone5,6-epoxide, 3-hydroxy-4-methyl-5-dion(1r)-7-oxabicyclo(4.1.0)hept-3-ene-, 5,6-epoxy-3-hydroxy-p-toluquinone, 5-dione,3-hydroxy-4, starter culture |
numbering system
cas number:121-40-4
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
1, acute toxicity: mice through peritoneal cavity ld50: 75mg/kg
2, mutagenicity: mouse intraperitoneal dna test system: 250mg/kg
mouse liverdna compound testing system: 200mg/kg
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 33.48
2. molar volume（m3/ mol）：95.5
3. isotonic ratio（90.2k）：275.0
4. surface tension(dyne/cm)：68.7
5. dielectric constant:
6. dipole moment（10 -24cm3)：
7. polarizability: 13.27
compute chemical data
1. hydrophobic parameters calculate reference value (xlogp）：-0.2
2. hydrogen bonding number of donors: 1
3. hydrogen bonding number of receptors: 4
4. rotatable number of chemical bonds: 0
5. interchange number of isomers: 24
6. topological molecules polar surface area (tpsa）：66.9
7. heavy atoms quantity: 11
8. surface charge ：0
9. complexity ：289
10. number of isotope atoms:0
11. determine the number of atomic stereocenters:2
12. uncertain number of atomic stereocenters:0
13. determine the number of stereocenters of chemical bonds:0
14. uncertain number of chemical bond stereocenters:0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
t; text-indent: -18pt; text-align: left; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level1 lfo1; tab-stops: list 18.0pt ; mso-para-margin-left: -.01gd” align=left>10. number of isotope atoms ：0
11. determine the number of atomic stereocenters:2
12. uncertain number of atomic stereocenters:0
13. determine the number of stereocenters of chemical bonds:0
14. uncertain number of chemical bond stereocenters:0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
