CAS 1109-28-0

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Virtual Booth

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 639k0t34ik, (2r,3r,4r,5r)-4-(((2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)tetrahydro-2h-pyran-2-yl)oxy)-2,3,5,6-tetrahydroxyhexanal, Nsc-170180, Maltotriose (open form), Maltotriose [usp-rs], Unii-639k0t34ik

Molecular Formula

C₁₈H₃₂O₁₆

Molecular Weight

504.4 g/mol

InChI Key

RXVWSYJTUUKTEA-CGQAXDJHSA-N

FDA UNII

639K0T34IK

D-maltotriose is a natural product found in Populus tremula and Aeromonas veronii with data available.

1 2D Structure

CAS 1109-28-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal

2.1.2 InChI

InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17+,18+/m0/s1

2.1.3 InChI Key

RXVWSYJTUUKTEA-CGQAXDJHSA-N

2.1.4 Canonical SMILES

C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC(C(CO)O)C(C(C=O)O)O)CO)O)O)O)O

2.1.5 Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

639K0T34IK

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Maltotriose

2.3.2 Depositor-Supplied Synonyms

1. 639k0t34ik

2. (2r,3r,4r,5r)-4-(((2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)tetrahydro-2h-pyran-2-yl)oxy)-2,3,5,6-tetrahydroxyhexanal

3. Nsc-170180

4. Maltotriose (open Form)

5. Maltotriose [usp-rs]

6. Unii-639k0t34ik

7. Dtxsid6048963

8. Schembl14796719

9. Chebi:61993

10. Einecs 214-174-2

11. Zinc64634218

12. Nsc 170180

13. Glucose Impurity C [ep Impurity]

14. Hy-113011

15. Cs-0059350

16. Alpha-d-glcp-(1->4)-alpha-d-glcp-(1->4)-d-glc

17. Q28091366

18. .alpha.-d-glucopyranosyl-(1->4)-.alpha.-d-glucopyranosyl-(1->4)-d-glucopyranose

19. D-glucose, O-alpha-d-glucopyranosyl-(1-4)-o-alpha-d-glucopyranosyl-(1-4)-

20. O-alpha-d-glucopyranosyl-(1.4)-o-alpha-d-glucopyranosyl-(1.4)-o-alpha-d-glucopyranose

21. Wurcs=2.0/2,3,2/[o2122h][a2122h-1a_1-5]/1-2-2/a4-b1_b4-c1

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₂O₁₆
Molecular Weight	504.4 g/mol
XLogP3	-7.2
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	11
Exact Mass	504.16903493 g/mol
Monoisotopic Mass	504.16903493 g/mol
Topological Polar Surface Area	277 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	625
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 1109-28-0 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?