IngredientID 66960
2,3-dihydroxypropyl(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl ester
C9H21O17P3
Relationship Network
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Ingredient: 1Target: 2Links: 4
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66960
- Core Entity Id
- 129609
- Source Entity Count
- 1
- Preferred Name
- 2,3-dihydroxypropyl(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl ester
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C9H21O17P3
- Molecular Weight
- 494.0000
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3-dihydroxypropyl(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2,3-dihydroxypropyl(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl ester
Itcmdb Generated
ITX-INGREDIENT-933BD4B21A7B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
494.000
Molecular Formula
C9H21O17P3
Fda Maximum Daily Dose (Fdamdd)
0.926
Quantitative Estimate Of Drug Likeness（Qed）
0.144