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Phlorin

CAT: 0931-TN5638Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5638Size:5 mg
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CAS Number
28217-60-9
Bioactivity
Phlorin is a natural product of Thymus, Lamiaceae. The catalog number is TN5638 and the CAS number is 28217-60-9. Phlorin can be used as a reference standard.
Smiles
OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C12H16O8
Molecular Weight
288.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,5-Dihydroxyphenyl beta-D-glucopyranoside

(2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol has been reported in Citrus reticulata, Sedum crassularia, and other organisms with data available.

CAS Number28217-60-9
PubChem CID476785
IUPAC Name(2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC12H16O8
Molecular Weight288.25
XLogP-1.2
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity304
SMILES
C1=C(C=C(C=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C12H16O8/c13-4-8-9(16)10(17)11(18)12(20-8)19-7-2-5(14)1-6(15)3-7/h1-3,8-18H,4H2/t8-,9-,10+,11-,12-/m1/s1
InChIKey
WXTPOHDTGNYFSB-RMPHRYRLSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dihydroxyphenyl beta-D-glucopyranoside
CAS: 28217-60-9
CID: 476785
Formula: C12H16O8
MW: 288.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.25
XLogP3-1.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass288.08451746
Monoisotopic Mass288.08451746
Topological Polar Surface Area140 Ų
Heavy Atom Count20
Formal Charge0
Complexity304
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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