4-Demethylepipodophyllotoxin

Name: 4-Demethylepipodophyllotoxin
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 39436

CAS 6559-91-7C21H20O8MW 400.4

4-Demethylepipodophyllotoxin (CAS 6559-91-7) — formula C21H20O8, molecular weight 400.4; category organic chemicals.

Specifications

CAS Number6559-91-7

Molecular FormulaC21H20O8

Molecular Weight400.4

LogP0.73

CategoryOrganic Chemicals

Purchase Profile

What this product is

4-Demethylepipodophyllotoxin is a carbon-based organic compound with CAS registry number 6559-91-7 and molecular formula C21H20O8 (molecular weight 400.4), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 6559-91-7

Its molecular formula C21H20O8 comprises 21 C, 20 H, 8 O atoms.

Also known as: 4-Demethylepipodophyllotoxin · 4'-Demethylepipodophyllotoxin

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 4-Demethylepipodophyllotoxin?

The CAS registry number of 4-Demethylepipodophyllotoxin is 6559-91-7.

What is the molecular formula and molecular weight of 4-Demethylepipodophyllotoxin?

Molecular formula C21H20O8, molecular weight 400.4.

What other names is 4-Demethylepipodophyllotoxin known by?

It is also registered under: 4-Demethylepipodophyllotoxin, 4'-Demethylepipodophyllotoxin.

Which category does 4-Demethylepipodophyllotoxin belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for 4-Demethylepipodophyllotoxin (CAS 6559-91-7), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statements	H315 (33.3%), H319 (33.3%), H340 (33.3%), H350 (33.3%), H360 (33.3%)

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Physical description and handling notes

194.83 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
186.31 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
196.1 Å² [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
183.67 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Reported physical properties

LogP	0.73

How this substance is indexed

CAS Registry Number	6559-91-7
PubChem CID	122797
分子式	C21H20O8
IUPAC 名称	(5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
UNII（FDA）	X0S6I23X6L

Names this substance appears under

4'-Demethylepipodophyllotoxin; 6559-91-7; (-)-4'-Demethylepipodophyllotoxin; 4'-O-demethylepipodophyllotoxin; DTXSID7048742; X0S6I23X6L; DTXCID0028668; CHEBI:74422; 4'-demethyl epipodophyllotoxin; RefChem:506083; 4'-DMEP; 4-Demethylepipodophyllotoxin; 4'-demethyl-9-epipodophyllotoxin; Tox21_113196; D5653; Etoposide EP Impurity E

Computed molecular descriptors

分子量	400.4
XLogP3	1.7
氢键供体数	2
氢键受体数	8
可旋转键数	3
精确质量	400.11581759
单同位素质量	400.11581759
拓扑极性表面积	104
重原子数	29
形式电荷	0

Database abstract

4-Demethylepipodophyllotoxin · CAS 6559-91-7 · C21H20O8. UNII X0S6I23X6L. LogP: 0.73.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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