 Home > Encyclopedia > Methyl (2S)-4,5′,8′,9-tetrahydro-4′,9′,10-trihydroxy-7′-methoxy-5′,8′,9-trioxospiro[benzo[1,2-b:5,4-c′]dipyran-2(3H),2′(3′H)-naphtho[2,3-b]furan]-7-carboxylate

Methyl (2S)-4,5′,8′,9-tetrahydro-4′,9′,10-trihydroxy-7′-methoxy-5′,8′,9-trioxospiro[benzo[1,2-b:5,4-c′]dipyran-2(3H),2′(3′H)-naphtho[2,3-b]furan]-7-carboxylate

Methyl (2S)-4,5′,8′,9-tetrahydro-4′,9′,10-trihydroxy-7′-methoxy-5′,8′,9-trioxospiro[benzo[1,2-b:5,4-c′]dipyran-2(3H),2′(3′H)-naphtho[2,3-b]furan]-7-carboxylate structure

CAS No:
27267-71-6
Formula:
C26H18O12
Chemical Name:
Methyl (2S)-4,5′,8′,9-tetrahydro-4′,9′,10-trihydroxy-7′-methoxy-5′,8′,9-trioxospiro[benzo[1,2-b:5,4-c′]dipyran-2(3H),2′(3′H)-naphtho[2,3-b]furan]-7-carboxylate
Synonyms:
Spiro[benzo[1,2-b:5,4-c′]dipyran-2(3H),2′(3′H)-naphtho[2,3-b]furan]-7-carboxylic acid,4,5′,8′,9-tetrahydro-4′,9′,10-trihydroxy-7′-methoxy-5′,8′,9-trioxo-,methyl ester,(2S)-;γ-Rubromycin;Methyl (2S)-4,5′,8′,9-tetrahydro-4′,9′,10-trihydroxy-7′-methoxy-5′,8′,9-trioxospiro[benzo[1,2-b:5,4-c′]dipyran-2(3H),2′(3′H)-naphtho[2,3-b]furan]-7-carboxylate;11031-40-6;51065-13-5

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Methyl (2S)-4,5′,8′,9-tetrahydro-4′,9′,10-trihydroxy-7′-methoxy-5′,8′,9-trioxospiro[benzo[1,2-b:5,4-c′]dipyran-2(3H),2′(3′H)-naphtho[2,3-b]furan]-7-carboxylate Basic Attributes

Molecular Weight：

522.41400

Exact Mass：

522.41

DSSTox ID：

DTXSID90181716

Characteristics

PSA：

179.03000

XLogP3：

2.26210

Density：

1.77g/cm3

Boiling Point：

909.3ºC at 760mmHg

Flash Point：

313.4ºC

Refractive Index：

1.758

Vapor Pressure：

3.55E-35mmHg at 25°C

Drug Information

MeSH Entry Terms：

delta-rubromycin

Computed Properties

Molecular Weight:522.4
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:3
Exact Mass:522.07982601
Monoisotopic Mass:522.07982601
Topological Polar Surface Area:175
Heavy Atom Count:38
Complexity:1140
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl (2S)-4,5′,8′,9-tetrahydro-4′,9′,10-trihydroxy-7′-methoxy-5′,8′,9-trioxospiro[benzo[1,2-b:5,4-c′]dipyran-2(3H),2′(3′H)-naphtho[2,3-b]furan]-7-carboxylate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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