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(1r,4As,7as)-1,5'-dihydroxy-4'-(1-hydroxyethyl)-5'-methyl-4a,7a-dihydro-1h,5'h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid

HCID 185261
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
93376-06-8
Standard SMILES
CC(O)C1=CC2(C=C[C@@H]3C(C(=O)O)=CO[C@@H](O)[C@@H]32)OC1(C)O
InChIKey
LXUCNZNWQBWWDK-BCOCBBQUSA-N
Molecular formula
C15H18O7
Average molar mass
310.3 g/mol
Monoisotopic mass
310.10525291

Names & identifiers

Preferred name
(1r,4As,7as)-1,5'-dihydroxy-4'-(1-hydroxyethyl)-5'-methyl-4a,7a-dihydro-1h,5'h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid
IUPAC
(1R,4aS,7aS)-1,2'-dihydroxy-3'-(1-hydroxyethyl)-2'-methylspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,5'-furan]-4-carboxylic acid

Names & synonyms

93376-06-8alpha-allamcidinDTXSID80918472(1r,4as,7as)-1,5'-dihydroxy-4'-(1-hydroxyethyl)-5'-methyl-4a,7a-dihydro-1h,5'h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid1,5'-Dihydroxy-4'-(1-hydroxyethyl)-5'-methyl-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acidSpiro(cyclopenta(c)pyran-7(1H),2'(5'H)-furan)-4-carboxylic acid, 3,4,4a,7a-tetrahydro-1-hydroxy-4'-(1-hydroxyethyl)-5'-oxo-, methyl ester, (1S-(1alpha,4alpha,4abeta,7beta(R*),7abeta))-

Database identifiers

CAS
93376-06-8
PubChem CID
185261
DTXSID
DTXSID80918472

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
116 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
22
Formal charge
0
Complexity
607

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Compound notes

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