(2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid

C14H24NO10P — CID 121349217

IUPAC(2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid
SMILESCOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O.COc1ccc(OP(N)(=O)O)cc1
InChIInChI=1S/C7H10NO4P.C7H14O6/c1-11-6-2-4-7(5-3-6)12-13(8,9)10;1-12-2-3-4(8)5(9)6(10)7(11)13-3/h2-5H,1H3,(H3,8,9,10);3-11H,2H2,1H3/t;3-,4+,5+,6-,7+/m.1/s1
InChIKeyKPWWFOGHMJMBJI-UTOGPNFYSA-N
MW397.32 g/mol
LogP-1.43
Rot. Bonds5

About (2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid

(2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid (PubChem CID 121349217) has the molecular formula C14H24NO10P and a molecular weight of 397.32 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid
PubChem CID121349217
Molecular FormulaC14H24NO10P
Molecular Weight397.32 g/mol
Exact Mass397.11
IUPAC Name(2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid
SMILESCOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O.COc1ccc(OP(N)(=O)O)cc1
InChIInChI=1S/C7H10NO4P.C7H14O6/c1-11-6-2-4-7(5-3-6)12-13(8,9)10;1-12-2-3-4(8)5(9)6(10)7(11)13-3/h2-5H,1H3,(H3,8,9,10);3-11H,2H2,1H3/t;3-,4+,5+,6-,7+/m.1/s1
InChIKeyKPWWFOGHMJMBJI-UTOGPNFYSA-N
XLogP-1.43
TPSA181.16 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.32
LogP ≤ 5-1.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenoxy)phosphonamidic acid
CID 121349218
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
CID 167491505
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;1-methoxy-4-[3-[3-(4-methoxyphenyl)propoxy]propyl]benzene
CID 69135577
(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
CID 156617029
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 [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10331746
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
CID 42609823

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid?
The IUPAC name of (2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid (CID 121349217) is (2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid.
What is the SMILES notation for (2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid?
The canonical SMILES for (2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid is COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O.COc1ccc(OP(N)(=O)O)cc1.
What is the InChIKey of (2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid?
The InChIKey is KPWWFOGHMJMBJI-UTOGPNFYSA-N. The full InChI is InChI=1S/C7H10NO4P.C7H14O6/c1-11-6-2-4-7(5-3-6)12-13(8,9)10;1-12-2-3-4(8)5(9)6(10)7(11)13-3/h2-5H,1H3,(H3,8,9,10);3-11H,2H2,1H3/t;3-,4+,5+,6-,7+/m.1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid?
(2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid has a molecular weight of 397.32 g/mol, XLogP of -1.43, 5 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol;(4-methoxyphenoxy)phosphonamidic acid is sourced from PubChem (CID 121349217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).