Basic information
- CAS
22404-04-2- Standard SMILES
O=C1O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)[C@H]1O- InChIKey
VIVCRCODGMFTFY-PHYPRBDBSA-N- Molecular formula
- C7H12O7
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.05830272
Names & identifiers
- Preferred name
- D-glycero-L-manno-Heptonic acid, gamma-lactone
- IUPAC
- (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R)-1,2,3-trihydroxypropyl]oxolan-2-one
- English name
- D-glycero-L-manno-heptono-gamma-lactone
- Molecular formula
- C7H12O7
- Molecular weight
- 208.17
Names & synonyms
DTXSID701268482RefChem:583864DTXCID101699112D-glycero-L-manno-Heptonic acid, gamma-lactone22404-04-2D-Glycero-L-manno-heptono-gamma-lactone(3R,4S,5S)-3,4-Dihydroxy-5-((1S,2R)-1,2,3-trihydroxypropyl)dihydrofuran-2(3H)-oneEINECS 244-960-0(3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R)-1,2,3-trihydroxypropyl]oxolan-2-oneNS00125987D-glycero-L-manno-Heptonic acid, I(3)-lactoneD-glycero-L-manno-heptonic gamma-lactone
Show more names
D-glycero-L-manno-Heptonic acid γ-lactone
Database identifiers
- CAS
22404-04-2- PubChem CID
- 89696
- DTXSID
DTXSID701268482- EC Number
- 244-960-0
- Nikkaji
- J236.512J
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 557.532 · 557.532±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.806 · 1.806±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.052 · 12.052±0.60(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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