HCX
Summary
| Name: | (SOUTH) BICYCLO[3.1.0]HEXANE |
| Formula: | C7 H13 O4 P |
| Formal charge: | 0 |
| Formula weight: | 192.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1R,2R,3S,5R)-3-hydroxybicyclo[3.1.0]hex-2-yl]methyl hydrogen (S)-phosphonate |
| OpenEye OEToolkits | 1.5.0 | [(1R,2R,3S,5R)-3-hydroxy-2-bicyclo[3.1.0]hexanyl]methoxyphosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OCC1C2CC2CC1O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1C[C@H]2C[C@H]2[C@@H]1CO[P@H](O)=O |
| SMILES | CACTVS | 3.341 | O[CH]1C[CH]2C[CH]2[CH]1CO[PH](O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]2[C@@H]1[C@@H]([C@H](C2)O)CO[P@@H](=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C2C1C(C(C2)O)COP(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H13O4P/c8-7-2-4-1-5(4)6(7)3-11-12(9)10/h4-8,12H,1-3H2,(H,9,10)/t4-,5-,6+,7+/m1/s1 |
| InChIKey | InChI | 1.03 | MHTBERPCQUPUKA-JWXFUTCRSA-N |
