UCM05

CAT: 0127-BUP02688-03Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP02688-03Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1094451-90-7

Synonyms

G28UCM

Purity

=98%

Smiles

Oc1cc(cc(O)c1O)C(=O)Oc1cc(OC(=O)c2cc(O)c(O)c(O)c2)c2ccccc2c1

Chemical Information

1,3-Bis((3,4,5-trihydroxybenzoyl)oxy)naphthalene

CAS Number	1094451-90-7
PubChem CID	24896615
IUPAC Name	[4-(3,4,5-trihydroxybenzoyl)oxynaphthalen-2-yl] 3,4,5-trihydroxybenzoate
Molecular Formula	C24H16O10
Molecular Weight	464.4
XLogP	3.9
Topological Polar Surface Area	174
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	707

SMILES

C1=CC=C2C(=C1)C=C(C=C2OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

InChI

InChI=1S/C24H16O10/c25-16-6-12(7-17(26)21(16)29)23(31)33-14-5-11-3-1-2-4-15(11)20(10-14)34-24(32)13-8-18(27)22(30)19(28)9-13/h1-10,25-30H

InChIKey

KJCWIWDPTNVWRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1094451-90-7

CID: 24896615

Formula: C24H16O10

MW: 464.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	464.4
XLogP3	3.9
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	464.07434670
Monoisotopic Mass	464.07434670
Topological Polar Surface Area	174 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	707
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
GTR19201608-01	UCM05
HY-110354R	UCM05 (Standard)