[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate

C6H12NO8P — CID 86583037

IUPAC[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate
SMILESN[C@H]1C(=O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-5,8-9H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
InChIKeyBMFNJBCGYNQCSJ-TXICZTDVSA-N
MW257.13 g/mol
LogP-2.93
Rot. Bonds3

About [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate (PubChem CID 86583037) has the molecular formula C6H12NO8P and a molecular weight of 257.13 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate
PubChem CID86583037
Molecular FormulaC6H12NO8P
Molecular Weight257.13 g/mol
Exact Mass257.03
IUPAC Name[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate
SMILESN[C@H]1C(=O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-5,8-9H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
InChIKeyBMFNJBCGYNQCSJ-TXICZTDVSA-N
XLogP-2.93
TPSA159.54 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 5-2.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate (CID 86583037) is [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate is N[C@H]1C(=O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate?
The InChIKey is BMFNJBCGYNQCSJ-TXICZTDVSA-N. The full InChI is InChI=1S/C6H12NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-5,8-9H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate?
[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate has a molecular weight of 257.13 g/mol, XLogP of -2.93, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 86583037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).