Basic information
- CAS
281-33-4- Standard SMILES
C1C2CC3CC1OP(O2)O3- InChIKey
ITRBZCAAXSQYAV-UHFFFAOYSA-N- Molecular formula
- C6H9O3P
- Average molar mass
- 160.11 g/mol
- Monoisotopic mass
- 160.02893114
Names & identifiers
- Preferred name
- 2,8,9-Trioxa-1-phosphadamantane
- IUPAC
- 2,8,9-trioxa-1-phosphatricyclo[3.3.1.13,7]decane
- English name
- 2,8,9-Trioxa-1-phosphadamantane
- Molecular formula
- C6H9O3P
- Molecular weight
- 160.11
Names & synonyms
2,8,9-Trioxa-1-phosphadamantane281-33-4NSC 585802,8,9-Trioxa-1-phosphatricyclo[3.3.1.1~3,7~]decaneDTXSID401823792,8,9-Trioxa-1-phosphatricyclo(3.3.1.1~3,7~)decaneRefChem:248882DTXCID00104870InChI=1/C6H9O3P/c1-4-2-6-3-5(1)8-10(7-4)9-6/h4-6H,1-3HNSC585801,3,5-Cyclohexanetriyl phosphite2,8,9-Trioxa-1-phosphatricyclo[3.3.1.13,7]decane
Show more names
Aids125012Aids-125012
1,5-Cyclohexanetriyl phosphiteSCHEMBL105987292,8,9-trioxa-1-phosphaadamantaneNSC-58580AKOS0063186992,9-Trioxa-1-phosphatricyclo[3.3.1.13,7]decane2,8,9-Trioxa-1-phosphatricyclo[3.3.1.1.3,7]decane2,8, {9-Trioxa-1-phosphatricyclo[3.3.1.13,7]decane}
Database identifiers
- CAS
281-33-4- PubChem CID
- 136108
- DTXSID
DTXSID40182379
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 123
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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