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Home> Hot Product Listed F   > F3398-2788
520-26-3 structure

F3398-2788

Iupac Name:(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CAS No.:520-26-3
Molecular Weight:610.56100
Molecular Formula:C14H19FO9 (isomer)
Names and Identifiers
Synonyms

AKOS001773969 MCULE-8306287108 MOLPORT-007-598-723 n-(2-chlorobenzyl)-2-(6-(4-fluorobenzyl)-2-methyl-5,7-dioxo-6,7-dihydro-2h-pyrazolo[4,3-d]pyrimidin-4(5h)-yl)acetamide n-(2-chlorobenzyl)-2-[6-(4-fluorobenzyl)-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4h-pyrazolo[4,3-d]pyrimidin-4-yl]acetamide n-[(2-chlorophenyl)methyl]-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl}acetamide VU0619465-1 ZINC21657587

Inchi
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChkey
QUQPHWDTPGMPEX-QJBIFVCTSA-N
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Isomers Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H]
(O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Properties
Melting Point
250-255°C (dec.)(lit.)
Refractive Index
1.695
Alpha
-76 o (C=2,PYRIDINE)
Safety and Handling
Risk Statements
R22
Safety Statements
S22-S24/25
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
DESTILACIONES BORDAS CHINCHURRETA, S.A. 2013
GEELIO Umwelttechnologie GmbH 2013
INTERQUIM, S. A. 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:610.56100g/mol
  • Molecular Formula:C14H19FO9
  • Compound Is Canonicalized:True
  • Exact Mass:610.19
  • Monoisotopic Mass:610.19
  • Complexity:940
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:8
  • Hydrogen Bond Acceptor Count:15
  • Topological Polar Surface Area:234A^2
  • Heavy Atom Count:43
  • Defined Atom Stereocenter Count:11
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aJECAAAAAACRQAAAGgAACAAADBSwmAMyDoAABgCI AqBSAAACCAAkIAAIiAEGiMgdNzaGNRqieWOl4BUPuQfI7PzOIAABCAAIQABAAAIQABCAAAAAAAAA AA==
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Recommended Suppliers
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