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Basic information
- CAS
22976-90-5- Standard SMILES
NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1OC(n2ccc(=O)[nH]c2=O)C(O)C1O- InChIKey
XQOJMTZGJFOLKB-UHFFFAOYSA-N- Molecular formula
- C16H23N5O12
- Average molar mass
- 477.38 g/mol
- Monoisotopic mass
- 477.13432119
Names & identifiers
- Preferred name
- 2-[(2-Amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
- IUPAC
- 2-[(2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
- English name
- Polyoxin L
- Molecular formula
- C16H23N5O12
- Molecular weight
- 477.38
Names & synonyms
NSC308001NSC-308001Polyoxin L5-[[2-Amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxopyrimidin-1(2H)-yl)-β-D-allofuranuronic acid5-[(2-Amino-5-O-aminocarbonyl-2-deoxy-L-xylonoyl)amino]-1,5-dideoxy-1-(1,2,3,4-tetrahydro-2,4-dioxopyrimidin-1-yl)-β-D-allofuranuronic acid
Database identifiers
- CAS
22976-90-5- PubChem CID
- 100013
Properties
Computed structural propertiesFilling in
- XLogP
- -7.7
- Topological polar surface area
- 284 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 837
Physicochemical properties
- Melting point
- 180 · 180-183 °C (decomp)
- Density
- 1.772 · 1.772±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.667 · 2.667±0.10(predicted)
Chemistry & industry
Suppliers1 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
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Compound notes
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