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| CAS Number | 3615-56-3 |
| Catalog Number | AG007B86(AGN-PC-0O9BNQ) |
| Chemical Name | (3R,4S,5R)-1,3,4,5,6-Pentahydroxyhexan-2-one |
| EC Number | 222-796-0 |
| IUPAC Name | (3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1 |
| InChI Key | BJHIKXHVCXFQLS-PYWDMBMJSA-N |
| MDL Number | MFCD00151095 |
| Molecular Formula | C6H12O6 |
| Molecular Weight | 180.1559 |
| SMILES | OCC([C@@H]([C@H]([C@@H](CO)O)O)O)=O |
| UNII | JJ09461NJS |
| Synonyms | D Sorbose,
D-Sorbose,
L Sorbose,
L-Sorbose,
Sorbose,
D-sorbose,
3615-56-3,
(3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one,
keto-D-sorbose,
UNII-JJ09461NJS,
MFCD00151095,
JJ09461NJS,
xylo-Hexulose,
3615-39-2,
Sorbose, D-,
D-Sor,
EINECS 222-796-0,
D-xylo-hex-2-ulose,
SCHEMBL762,
BIFS0114,
CHEBI:13022,
CTK1C2817,
KS-00000XYU,
D-(+)-Sorbose, >=99%,
BJHIKXHVCXFQLS-PYWDMBMJSA-N,
ZX-AFC002749,
AC1L3251,
ZINC5131991,
ANW-28364,
AKOS015915453,
DB-048924,
RT-000572,
366-EP2269989A1,
366-EP2269996A1,
366-EP2270000A1,
366-EP2270002A1,
366-EP2270007A1,
366-EP2270011A1,
366-EP2270014A1,
366-EP2270017A1,
366-EP2272517A1,
366-EP2272537A2,
366-EP2272822A1,
366-EP2272826A1,
366-EP2272834A1,
366-EP2272841A1,
366-EP2272848A1,
366-EP2275105A1,
366-EP2275412A1,
366-EP2275413A1,
366-EP2275417A2,
366-EP2275420A1,
366-EP2277507A1,
366-EP2277865A1,
366-EP2277877A1,
366-EP2277879A1,
366-EP2280001A1,
366-EP2281563A1,
366-EP2281823A2,
366-EP2281824A1,
366-EP2283811A1,
366-EP2284162A2,
366-EP2284163A2,
366-EP2284165A1,
366-EP2284172A1,
366-EP2286795A1,
366-EP2287147A2,
366-EP2287156A1,
366-EP2287163A1,
366-EP2289890A1,
366-EP2289892A1,
366-EP2289893A1,
366-EP2292222A1,
366-EP2292227A2,
366-EP2292228A1,
366-EP2292234A1,
366-EP2292593A2,
366-EP2292597A1,
366-EP2292611A1,
366-EP2292612A2,
366-EP2292613A1,
366-EP2292622A1,
366-EP2292624A1,
366-EP2295055A2,
366-EP2295399A2,
366-EP2295408A1,
366-EP2295409A1,
366-EP2295410A1,
366-EP2295416A2,
366-EP2295417A1,
366-EP2295424A1,
366-EP2295426A1,
366-EP2295427A1,
366-EP2295430A2,
366-EP2295431A2,
366-EP2295439A1,
366-EP2298415A1,
366-EP2298735A1,
366-EP2298744A2,
366-EP2298746A1,
366-EP2298748A2,
366-EP2298766A1,
366-EP2298770A1,
366-EP2298779A1,
366-EP2301533A1,
366-EP2301536A1,
366-EP2301538A1,
366-EP2301923A1,
366-EP2301929A1,
366-EP2301931A1,
366-EP2301935A1,
366-EP2301936A1,
366-EP2301937A1,
366-EP2301938A1,
366-EP2301939A1,
366-EP2301941A1,
366-EP2305248A1,
366-EP2305250A1,
366-EP2305254A1,
366-EP2305643A1,
366-EP2305648A1,
366-EP2305652A2,
366-EP2305663A1,
366-EP2305668A1,
366-EP2305673A1,
366-EP2305674A1,
366-EP2305678A1,
366-EP2305679A1,
366-EP2305680A2,
366-EP2305683A1,
366-EP2308492A1,
366-EP2308840A1,
366-EP2308852A1,
366-EP2308857A1,
366-EP2308861A1,
366-EP2308865A1,
366-EP2308877A1,
366-EP2308881A1,
366-EP2311453A1,
366-EP2311455A1,
366-EP2311494A1,
366-EP2311807A1,
366-EP2311809A1,
366-EP2311815A1,
366-EP2311821A1,
366-EP2311829A1,
366-EP2311834A1,
366-EP2311836A1,
366-EP2311839A1,
366-EP2311840A1,
366-EP2311842A2,
366-EP2314575A1,
366-EP2314584A1,
366-EP2314589A1,
366-EP2314590A1,
366-EP2314593A1,
366-EP2316452A1,
366-EP2316459A1,
366-EP2316470A2,
366-EP2316832A1,
366-EP2316833A1,
366-EP2316837A1,
366-EP2374790A1,
366-EP2374792A1,
366-EP2374895A1,
366-EP2377849A2,
366-EP2380872A1,
FT-0625617,
C01452,
K-8106,
615S563,
I14-54677,
sorbose,
sorbitol,
Erythrohexulose,
D-(+)-Sorbose,
L-sorbose,
D Sorbose,
L Sorbose,
Sorbose (packaging),
D- -SORBOSE,
C6-H12-O6,
CID107428,
D-Sorbose, 98% - 250MG 250mg,
D013013,
SDD,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.156g/mol |
| Monoisotopic Mass | 180.063g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.2 |
| Symbol: | |
| Hazard statements | |
| Precautionary statements | |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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| Test: | Result: |

