Phomosine D

CAT: 0926-ZJB91837-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-ZJB91837-01Size:5 mg

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CAS Number

874918-37-3

Smiles

CC1=CC (=C (C (=C1) OC2=C (C (=C (C (=C2C) C (=O) OC) O) C) O) CO) O

Molecular Formula

C18H20O7

Molecular Weight

348.3 g/mol

Controlled

Chemical Information

Phomosine D

Phomosine D is an aromatic ether.

CAS Number	874918-37-3
PubChem CID	11581059
IUPAC Name	methyl 2,4-dihydroxy-5-[3-hydroxy-2-(hydroxymethyl)-5-methylphenoxy]-3,6-dimethylbenzoate
Molecular Formula	C18H20O7
Molecular Weight	348.3
XLogP	3.5
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	457

SMILES

CC1=CC(=C(C(=C1)OC2=C(C(=C(C(=C2C)C(=O)OC)O)C)O)CO)O

InChI

InChI=1S/C18H20O7/c1-8-5-12(20)11(7-19)13(6-8)25-17-9(2)14(18(23)24-4)15(21)10(3)16(17)22/h5-6,19-22H,7H2,1-4H3

InChIKey

YXFYVKDXNWPWNE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 874918-37-3

CID: 11581059

Formula: C18H20O7

MW: 348.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.3
XLogP3	3.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	348.12090297
Monoisotopic Mass	348.12090297
Topological Polar Surface Area	116 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	457
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
SNA87755-01	D-Lys-D-Leu-D-Val-D-Phe-D-Phe-D-Ala trifluoroacetate
FA108406-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FA108403-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FC110132-01	H-Cys (NPys) -D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2 trifluoroacetate salt
FF111356-01	Fmoc-D-Pro-D-Pro-D-Pro-D-Pro-OH
VAC-00149-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P
FA108400-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH
MM04764-01	D-Mannono-D-lactam
CIA48069-01	D-Ribose-2-D
NLA84687-01	D-Arabinose-2-D

Catalog	Name
HY-N8325	Phomosine D