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Nistose (trihydrate)

CAT: 0804-HY-W539978-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W539978-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nistose (trihydrate) is a kind of biochemical reagent.
CAS Number
139523-49-2
UNSPSC
12352200
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Assay Protocol
https://www.medchemexpress.com/nistose-trihydrate.html
Smiles
OC[C@]1(O[C@@H]([C@H]([C@@H]1O)O)CO)OC[C@]2(O[C@@H]([C@H]([C@@H]2O)O)CO)OC[C@]3(O[C@@H]([C@H]([C@@H]3O)O)CO)O[C@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO.O.O.O
Molecular Formula
C24H48O24
Molecular Weight
720.62
References & Citations
[1]Bergmeyer, et al. "Biochemical reagents." Methods of Enzymatic Analysis. Academic Press, 1965. 967-1037.
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Nistose Trihydrate

See also: Nystose (annotation moved to).

CAS Number139523-49-2
PubChem CID91658902
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;trihydrate
Molecular FormulaC24H48O24
Molecular Weight720.6
Topological Polar Surface Area351
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count24
Rotatable Bond Count13
Heavy Atom Count48
Formal Charge0
Complexity964
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O.O.O.O
InChI
InChI=1S/C24H42O21.3H2O/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22;;;/h8-21,25-38H,1-7H2;3*1H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+;;;/m1.../s1
InChIKey
MJTDGRNFAJVFRT-DHHBJCMZSA-N
Chemical Structure
2D Structure
2D structure of Nistose Trihydrate
CAS: 139523-49-2
CID: 91658902
Formula: C24H48O24
MW: 720.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight720.6
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count24
Rotatable Bond Count13
Exact Mass720.25355239
Monoisotopic Mass720.25355239
Topological Polar Surface Area351 Ų
Heavy Atom Count48
Formal Charge0
Complexity964
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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