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(1S,4aS,7aS)-1-(beta-D-Glucopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid | CAS No. 27741-01-1

(1S,4aS,7aS)-1-(beta-D-Glucopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

Basic Information

Chemical_Structure_Of

CAS Number

27741-01-1

Molecular Formula

C16H22O10

Molecular Weight

374.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Boiling Point

160 °C

Density

0.9540

Flash Point

71 °C

Solubility

DMSO 16 mg/mL Water <1 mg/mL Ethanol 2 mg/mL

Refractive Index

1.659

SMILES

C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO

InChI

InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1

InChIKey

ZJDOESGVOWAULF-OGJQONSISA-N

LogP

-2.3174999999999986

Topological Polar Surface Area

166.14000000000001 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

602

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Synonyms & References

English

(1R,2S,6S)-9-(HYDROXYMETHYL)-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-3-OXABICYCLO[4.3.0]NONA-4,8-DIENE-5-CARBOXYLIC ACID
Geniposidic acid, >=98% (HPLC)
Q-100352
S2413
CCG-268347
AS-75051
(1S,4aS,7aS)-7-(hydroxymethyl)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
(1S,4aS,7aS)-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
A876868
(1S,4aS,7aS)-1-(beta-D-Glucopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
CHEMBL460031
AB01559137_03
MFCD00210294
Premnosidic acid
geniposidic-acid
DTXSID40182091
NCGC00346663-03
NS00097611
Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-
Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7aalpha))-
SCHEMBL227010
Geniposidic acid
Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-
BDBM50478834
BRD-K73771095-001-03-3
AKOS015896744
CHEBI:5301
Geniposidinsaure
Q5533206
HY-N0010
(1S,4aS,7aS)-7-(hydroxymethyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid

MDL Number

MFCD00210294

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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