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470-55-3

Basic Information
CAS No.: 470-55-3
Name: STACHYOSE
Article Data: 4
Molecular Structure:
Molecular Structure of 470-55-3 (STACHYOSE)
Formula: C24H42O21
Molecular Weight: 666.585
Synonyms: Stachyose (6CI,7CI);D-Stachyose;
EINECS: 207-427-3
Density: 1.84g/cm3
Melting Point: 170°C
Boiling Point: 1044.2oC at 760mmHg
Flash Point: 585.3oC
Solubility: H2O: 50 mg/mL, clear, colorless
Safety: 22-24/25
PSA: 347.83000
LogP: -9.74720
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Specification

This chemical is called alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-O-alpha-D-galactopyranosyl-(1.fwdarw.6)-, and its CAS registry number is 470-55-3. With the molecular formula of C24H42O21, its molecular weight is 666.58.

Other characteristics of the alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-O-alpha-D-galactopyranosyl-(1.fwdarw.6)- can be summarised as followings: (1)XLogP3: -8; (2)H-Bond Donor: 14; (3)H-Bond Acceptor: 21; (4)Rotatable Bond Count: 11; (5)Exact Mass: 666.221858; (6)MonoIsotopic Mass: 666.221858; (7)Topological Polar Surface Area: 348; (8)Heavy Atom Count: 45; (9)Formal Charge: 0; (10)Complexity: 933; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 19; (13)Covalently-Bonded Unit Count: 1; (14)Feature 3D Acceptor Count: 21; (15)Feature 3D Donor Count: 14; (16)Feature 3D Ring Count: 4; (17)Effective Rotor Count: 15.6; (18)Conformer Sampling RMSD: 1.4.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10-,11+,12+,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
2.Smiles:O1[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H]1OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@@]3(O[C@@H]([C@H](O)[C@@H]3O)CO)CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)CO