 Home > Encyclopedia > 2-[2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetic acid

2-[2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetic acid

2-[2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetic acid structure

CAS No:
127615-74-1
Formula:
C17H18O10
Chemical Name:
2-[2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetic acid
Synonyms:
GPOCA;

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2-[2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetic acid Basic Attributes

Molecular Weight：

382.31900

Exact Mass：

382.08999677 g/mol

DSSTox ID：

DTXSID10155611

Characteristics

PSA：

166.89000

XLogP3：

-1.40120

Density：

1.631g/cm3

Boiling Point：

736.4ºC

Flash Point：

270ºC

Refractive Index：

1.658

Storage Conditions：

2-8ºC

Vapor Pressure：

9.14E-23mmHg at 25°C

Drug Information

MeSH Entry Terms：

7-beta-galactopyranosyloxycoumarin-4-acetic acid

Computed Properties

Molecular Weight:382.3
XLogP3:-1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:382.08999677
Monoisotopic Mass:382.08999677
Topological Polar Surface Area:163
Heavy Atom Count:27
Complexity:605
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetic acid

Basic Attributes
Characteristics
Drug Information
Computed Properties
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