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

C6H10NO8P-2 — CID 139600868

IUPAC[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl 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)/p-2/t2-,3-,4-,5-/m1/s1
InChIKeyBMFNJBCGYNQCSJ-TXICZTDVSA-L
MW255.12 g/mol
LogP-4.19
Rot. Bonds3

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

[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl phosphate (PubChem CID 139600868) has the molecular formula C6H10NO8P-2 and a molecular weight of 255.12 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl phosphate
PubChem CID139600868
Molecular FormulaC6H10NO8P-2
Molecular Weight255.12 g/mol
Exact Mass255.02
IUPAC Name[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl 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)/p-2/t2-,3-,4-,5-/m1/s1
InChIKeyBMFNJBCGYNQCSJ-TXICZTDVSA-L
XLogP-4.19
TPSA165.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 5-4.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 phosphate?
The IUPAC name of [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl phosphate (CID 139600868) is [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl phosphate.
What is the SMILES notation for [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl phosphate?
The canonical SMILES for [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl 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 phosphate?
The InChIKey is BMFNJBCGYNQCSJ-TXICZTDVSA-L. 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)/p-2/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 phosphate?
[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl phosphate has a molecular weight of 255.12 g/mol, XLogP of -4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 9 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 phosphate is sourced from PubChem (CID 139600868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).