IngredientID 73583
Methyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulopyranosonate
C12H21NO9
Relationship Network
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Ingredient: 1Target: 3Links: 6
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73583
- Core Entity Id
- 136232
- Source Entity Count
- 1
- Preferred Name
- Methyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulopyranosonate
- Name En
- Pubchem Id
- 89801286
- Smiles Canonical
- CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)OC)O)O
- Molecular Formula
- C12H21NO9
- Molecular Weight
- 323.1200
- Inchikey
- BKZQMWNJESHHSA-SBZPQWOQSA-N
- Inchi
- InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6?,7-,8?,9-,10?,12?/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -3.1000
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 166.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulopyranosonate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Methyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulopyranosonate
Itcmdb Generated
ITX-INGREDIENT-CC21FA725CB4
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
323.120
Molecular Formula
C12H21NO9
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.278