 Home > Encyclopedia > (1S)-1,4a,5,6,7,7aα-Hexahydro-1-(β-D-glucopyranosyloxy)-4aα,6α,7α-trihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester

(1S)-1,4a,5,6,7,7aα-Hexahydro-1-(β-D-glucopyranosyloxy)-4aα,6α,7α-trihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester

(1S)-1,4a,5,6,7,7aα-Hexahydro-1-(β-D-glucopyranosyloxy)-4aα,6α,7α-trihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester structure

CAS No:
27856-54-8
Formula:
C17H26O12
Chemical Name:
(1S)-1,4a,5,6,7,7aα-Hexahydro-1-(β-D-glucopyranosyloxy)-4aα,6α,7α-trihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
Synonyms:
(1S)-1,4a,5,6,7,7aα-Hexahydro-1-(β-D-glucopyranosyloxy)-4aα,6α,7α-trihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester;(1S)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7aα-hexahydro-4aα,6α,7α-trihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester;Lamiide
Categories:
Natural Products > Iridoid Derivatives

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(1S)-1,4a,5,6,7,7aα-Hexahydro-1-(β-D-glucopyranosyloxy)-4aα,6α,7α-trihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester Basic Attributes

Molecular Weight：

422.38114

Exact Mass：

422.142426

Characteristics

PSA：

195.60000

XLogP3：

-3.03

Density：

1.7±0.1 g/cm3

Boiling Point：

667.2±55.0 °C at 760 mmHg

Flash Point：

237.8±25.0 °C

Refractive Index：

1.644

Storage Conditions：

-20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Computed Properties

Molecular Weight:422.4
XLogP3:-3.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:422.14242626
Monoisotopic Mass:422.14242626
Topological Polar Surface Area:196
Heavy Atom Count:29
Complexity:669
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S)-1,4a,5,6,7,7aα-Hexahydro-1-(β-D-glucopyranosyloxy)-4aα,6α,7α-trihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

(1S)-1,4a,5,6,7,7aα-Hexahydro-1-(β-D-glucopyranosyloxy)-4aα,6α,7α-trihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester

SDS

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