 Home > Encyclopedia > (2S,3R)-3-Chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthalenedione

(2S,3R)-3-Chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthalenedione

(2S,3R)-3-Chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthalenedione structure

CAS No:
135529-33-8
Formula:
C25H31ClO5
Chemical Name:
(2S,3R)-3-Chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthalenedione
Synonyms:
1,4-Naphthalenedione,3-chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-,(2S,3R)-;1,4-Naphthalenedione,3-chloro-2-(3,7-dimethyl-2,6-octadienyl)-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-butenyl)-,[2S-[2α,2(E),3β]]-;1,4-Naphthalenedione,3-chloro-2-[(2E)-3,7-dimethyl-2,6-octadienyl]-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-butenyl)-,(2S,3R)-;(2S,3R)-3-Chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthalenedione;Naphthomevalin

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(2S,3R)-3-Chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthalenedione Basic Attributes

Molecular Weight：

446.96400

Exact Mass：

446.96

Characteristics

PSA：

94.83000

XLogP3：

5.62460

Density：

1.24g/cm3

Boiling Point：

618.8ºC

Flash Point：

328.1ºC

Refractive Index：

1.594

Vapor Pressure：

3.57E-16mmHg at 25°C

Drug Information

MeSH Entry Terms：

naphthomevalin

Computed Properties

Molecular Weight:447.0
XLogP3:6.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:446.1860018
Monoisotopic Mass:446.1860018
Topological Polar Surface Area:94.8
Heavy Atom Count:31
Complexity:790
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S,3R)-3-Chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthalenedione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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