Picein

CAT: 0127-BUP20170-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20170-02Size:5 mg

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CAS Number

530-14-3

Synonyms

Salinigrin , Salicinerein , Piceoside , Ameliaroside

Purity

=98%

Smiles

COc1cc(ccc1O)-c1oc2cc(O)cc(OC)c2c(=O)c1OC

Chemical Information

Picein

Picein is a glycoside.

CAS Number	530-14-3
PubChem CID	92123
IUPAC Name	1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Molecular Formula	C14H18O7
Molecular Weight	298.29
XLogP	-0.7
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	353

SMILES

CC(=O)C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1

InChIKey

GOZCEKPKECLKNO-RKQHYHRCSA-N

Chemical Structure

2D Structure

CAS: 530-14-3

CID: 92123

Formula: C14H18O7

MW: 298.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.29
XLogP3	-0.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	298.10525291
Monoisotopic Mass	298.10525291
Topological Polar Surface Area	116 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	353
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR84761-01	Picene
BITP1040-01	RHuEGF Pichia
BITP1083-01	RHuGM-CSF Pichia
BI12289	Phytase (From Pichia pastoris)
BI12280	Xylanase (From Pichia pastoris)
BITP2106-01	IL-8 (1-77) Pichia
BITP2153	Recombinant Human Serum Albumin, Pichia Pastoris
BITP1833	Recombinant Hepatitis B Surface Antigen ayw subtype, pichia
BAL6630	PTM1 Pichia pastoris trace elemen Solution (for fermentation), 1 pack = 500 mL
BAL6628	PTM1 Pichia pastoris trace elemen Solution (for fermentation), 1 pack = 100 mL

Catalog	Name
M29334-01	Picein
HY-N8698R	Picein (Standard)
P18720-01	Picein 99%
AR-P01858-01	Picein (4-Acetylphenyl-D-Glucopyranoside)