[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid

C6H14NO8P — CID 167491505

IUPAC[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
SMILESNP(=O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H14NO8P/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H3,7,12,13)/t2-,3-,4+,5+,6?/m1/s1
InChIKeyHNNILXPLBPZXKM-QTVWNMPRSA-N
MW259.15 g/mol
LogP-3.14
Rot. Bonds3

About [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid

[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid (PubChem CID 167491505) has the molecular formula C6H14NO8P and a molecular weight of 259.15 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
PubChem CID167491505
Molecular FormulaC6H14NO8P
Molecular Weight259.15 g/mol
Exact Mass259.05
IUPAC Name[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
SMILESNP(=O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H14NO8P/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H3,7,12,13)/t2-,3-,4+,5+,6?/m1/s1
InChIKeyHNNILXPLBPZXKM-QTVWNMPRSA-N
XLogP-3.14
TPSA162.70 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.15
LogP ≤ 5-3.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 131865245
CID 131865245
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 46876838
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
CID 42609823
barium(2+);hydride;[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 173352052
disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 45052218
disodium;[(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 171380674
[(2R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 51351673
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 23421199
hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 171123123

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid?
The IUPAC name of [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid (CID 167491505) is [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid.
What is the SMILES notation for [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid?
The canonical SMILES for [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid is NP(=O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid?
The InChIKey is HNNILXPLBPZXKM-QTVWNMPRSA-N. The full InChI is InChI=1S/C6H14NO8P/c7-16(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H3,7,12,13)/t2-,3-,4+,5+,6?/m1/s1.
What are the key properties of [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid?
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid has a molecular weight of 259.15 g/mol, XLogP of -3.14, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid is sourced from PubChem (CID 167491505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).