3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone

HCID 439309
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Basic information

CAS
49598-85-8
Standard SMILES
O=C1C[C@@H](O)Cc2cc(O)cc(O)c21
InChIKey
RTWVXIIKUFSDJB-ZETCQYMHSA-N
Molecular formula
C10H10O4
Average molar mass
194.18 g/mol
Monoisotopic mass
194.0579088

Overview

See also: Scytalone (annotation moved to).

Names & identifiers

Preferred name
3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone
IUPAC
(3S)-3,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
English name
SCYTALONE
Molecular formula
C10H10O4
Molecular weight
194.18

Names & synonyms

3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone(3S)-3,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-oneC00779AC1L973NCPD-56SCHEMBL13176970DTXSID50964289RTWVXIIKUFSDJB-ZETCQYMHSA-N(3S)-3,6,8-Trihydroxy-3,4-dihydronaphthalen-1(2H)-oneSCYTALONE3,4-DIHYDRO-3,6,8-TRIHYDROXY-1(2H)-NAPHTHALENONE(R)-3,4-Dihydro-3,6,8-trihydroxynaphthalene-1(2H)-one
Show more names
(3R)-3,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one1(2H)-Naphthalenone-3,4-dihydro-3,6,8-trihydroxy-,(3R)-

Database identifiers

CAS
49598-85-8
PubChem CID
439309
DTXSID
DTXSID50964289

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
77.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
14

Physicochemical properties

Boiling point
476.7 · 476.7±34.0 °C(Predicted)
Density
1.533 · 1.533±0.06 g/cm3(Predicted)
pka
7.92 · 7.92±0.40(Predicted)
FDA UNII
1 MQ5L1414D · 1MQ5L1414D

Chemistry & industry

Suppliers5 total

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
桂林艾使普林生物科技有限公司15920419256 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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