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Sucrose-1-13Cfru

CAT: 0572-TRC-S697003-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S697003-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
154368-11-3
Synonyms
β-D-Fructofuranosyl-13C α-D-Glucopyranoside
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@]2([13C]([H])([H])O)[C@@H](O)[C@H](O)[C@@H](CO)O2)O[C@@H]1CO
Molecular Formula
13CC11H22O11
Molecular Weight
343.29
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sucrose-1-13Cfru
CAS Number154368-11-3
PubChem CID118855898
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(hydroxy(113C)methyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC12H22O11
Molecular Weight343.29
XLogP-3.7
Topological Polar Surface Area190
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity395
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)[13CH2]O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1/i3+1
InChIKey
CZMRCDWAGMRECN-CFRQQPCVSA-N
Chemical Structure
2D Structure
2D structure of Sucrose-1-13Cfru
CAS: 154368-11-3
CID: 118855898
Formula: C12H22O11
MW: 343.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.29
XLogP3-3.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass343.11956635
Monoisotopic Mass343.11956635
Topological Polar Surface Area190 Ų
Heavy Atom Count23
Formal Charge0
Complexity395
Isotope Atom Count1
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
sc-287062[1-13Cfru]sucrose
166624Sucrose-1-13Cfru
166626Sucrose-1-13Cglu-13Cfru
158370[1-13Cfru] Lactulose
sc-488374[1-13Cfru]lactulose
HY-W768340-01Sucrose-13C6-1
sc-473103Sucrose-1-13Cglu
SB0498Sucrose

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