Basic information
- CAS
19746-33-9- Standard SMILES
O=C1OC2[C@@H](CO)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c3cc(O)c(O)c4c3[C@@H]3C1=CC(=O)C(O)(O)C3(O)O4)[C@H]2O- InChIKey
CXTMLIMZRPKULL-PTZFQAMCSA-N- Molecular formula
- C27H22O19
- Average molar mass
- 650.5 g/mol
- Monoisotopic mass
- 650.07552847
Names & identifiers
- Preferred name
- (1~9a~R,4~2~S,4~3~R,4~4~S,4~6~R)-1~3~,1~4~,1~5a~,1~6~,1~6~,4~4~-Hexahydroxy-4~6~-(hydroxymethyl)-1~7~,2,6-trioxo-1~5a~,1~6~,1~7~,1~9a~-tetrahydro-3,5-dioxa-1(1,9)-dibenzo[b,d]furana-4(3,5)-oxanacyclohexaphan-4~2~-yl 3,4,5-trihydroxybenzoate
- IUPAC
- [(9R,18R,19S,21R,22S)-7,7,8,12,13,22-hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate
- English name
- epsilon-N-(2-Furoyl-methyl)-L-lysine 2HCl
- Molecular formula
- C12H18N2O4
- Molecular weight
- 254.28
Names & synonyms
SCHEMBL21179440DTXSID40941504[hexahydroxy-(hydroxymethyl)-trioxo-[?]yl] 3,4,5-trihydroxybenzoate(1~9a~R,4~2~S,4~3~R,4~4~S,4~6~R)-1~3~,1~4~,1~5a~,1~6~,1~6~,4~4~-Hexahydroxy-4~6~-(hydroxymethyl)-1~7~,2,6-trioxo-1~5a~,1~6~,1~7~,1~9a~-tetrahydro-3,5-dioxa-1(1,9)-dibenzo[b,d]furana-4(3,5)-oxanacyclohexaphan-4~2~-yl 3,4,5-trihydroxybenzoate3,3,3a,5,6,17-Hexahydroxy-13-(hydroxymethyl)-2,8,16-trioxo-2,3,3a,8,10,11,13,14,16,16b-decahydro-10,14-methano[1]benzofuro[4,3,2-jkl][2,5,8]benzotrioxacyclotridecin-11-yl 3,4,5-trihydroxybenzoateL-furosineFUROSINE DIHYDROCHLORIDEAids085636Aids-085636Furosine*HClFurosine 2HClFurosine DiHCl
Show more names
Nε-(Furan-2-ylcarbonylmethyl)lysineε-N-(2-FUROYL-METHYL)-L-LYSINE 2HCLε-N-(2-FUROYL-METHYL)-L-LYSINE 2HCL
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 317 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 4
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,300
Physicochemical properties
- Boiling point
- 462.7 · 462.7±45.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 2.5 · 2.50±0.24(Predicted)
Chemistry & industry
Suppliers18 total
上海惠诚生物科技有限公司60498804 18930850192 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
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]
湖北扬信医药科技有限公司15347293736 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
BOC Sciences[email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
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Compound notes
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