Basic information
- CAS
99150-60-4- Standard SMILES
NC(CCOc1ccc(C(O)C(=O)NC2(NC=O)CN(C(C(=O)O)c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3)C2=O)cc1)C(=O)O- InChIKey
HRGDBBMLDRNUJF-VVAMBQBQSA-N- Molecular formula
- C30H34N4O16
- Average molar mass
- 706.6 g/mol
- Monoisotopic mass
- 706.19698101
Overview
produced by Flexiabacter alginoliquefaciens sp. nov. YK-49; structure given in first source
Names & identifiers
- Preferred name
- Formadicin
- IUPAC
- 6-[4-[[3-[[2-[4-(3-amino-3-carboxypropoxy)phenyl]-2-hydroxyacetyl]amino]-3-formamido-2-oxoazetidin-1-yl]-carboxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- formadicin
- Molecular formula
- C30H34N4O16
- Molecular weight
- 706.61
Names & synonyms
Formadicin99150-60-4RefChem:1411816-[4-[[3-[[2-[4-(3-amino-3-carboxypropoxy)phenyl]-2-hydroxyacetyl]amino]-3-formamido-2-oxoazetidin-1-yl]-carboxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormadicin BFormadicin CFormadicin DSCHEMBL29885441SCHEMBL29885442beta-D-Glucopyranosiduronic acid, 4-((3-(((4-(3-amino-3-carboxypropoxy)phenyl)hydroxyacetyl)amino)-3-(formylamino)-2-oxo-1-azetidinyl)carboxymethyl)phenyl, (3S-(1(S*),3R*(S*(S*))))-TAN-585AFormadicin A
Show more names
Antibiotic TAN-585AAntibiotic PA-42702B(3S,αR)-3-[[(R)-[4-[(R)-3-Amino-3-carboxypropoxy]phenyl]hydroxyacetyl]amino]-3-formylamino-α-[4-[(β-D-glucopyranuronosyl)oxy]phenyl]-2-oxo-1-azetidineacetic acidβ-D-Glucopyranosiduronic acid, 4-[(R)-[(3S)-3-[[(2R)-[4-[(3R)-3-amino-3-carboxypropoxy]phenyl]hydroxyacetyl]amino]-3-(formylamino)-2-oxo-1-azetidinyl]carboxymethyl]phenyl (9CI)
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 325 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 15
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,260
Physicochemical properties
- Boiling point
- 1229.4 · 1229.4±65.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- pka
- 2.19 · 2.19±0.10(Predicted)
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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