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((2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate - ≥95%, high purity , CAS No.4484-88-2

    Grade & Purity:
  • ≥95%
In stock
Item Number
T695645
Grouped product items
SKU Size
Availability
Price Qty
T695645-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,018.90
T695645-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$3,028.90
View related series
Metabolite (5307)

Basic Description

Specifications & Purity ≥95%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic oxygen compounds
Class Organooxygen compounds
Subclass Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes Disaccharides
Direct Parent Disaccharide phosphates
Alternative Parents O-glycosyl compounds  Monoalkyl phosphates  Oxanes  Secondary alcohols  Polyols  Oxacyclic compounds  Acetals  Primary alcohols  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aliphatic heteromonocyclic compounds
Substituents Disaccharide phosphate - Glycosyl compound - O-glycosyl compound - Monoalkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Oxane - Organic phosphoric acid derivative - Secondary alcohol - Acetal - Polyol - Oxacycle - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Alcohol - Aliphatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as disaccharide phosphates. These are disaccharides carrying one or more phosphate group on a sugar unit.
External Descriptors trehalose phosphate

Product Properties

ALogP -5.8

Names and Identifiers

IUPAC Name [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
INCHI InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
InChIKey LABSPYBHMPDTEL-LIZSDCNHSA-N
Smiles C(C1C(C(C(C(O1)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O)O)O)O
Isomeric SMILES C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O)O
PubChem CID 122336
Molecular Weight 422.28

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 422.280 g/mol
XLogP3 -5.800
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 6
Exact Mass 422.083 Da
Monoisotopic Mass 422.083 Da
Topological Polar Surface Area 236.000 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 528.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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