[[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

C7H14NO12P3-4 — CID 59905522

IUPAC[[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESC[C@H]1CC(O)[C@@](CN)(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
InChIInChI=1S/C7H18NO12P3/c1-5-2-6(9)7(3-8,18-5)4-17-22(13,14)20-23(15,16)19-21(10,11)12/h5-6,9H,2-4,8H2,1H3,(H,13,14)(H,15,16)(H2,10,11,12)/p-4/t5-,6?,7+/m0/s1
InChIKeyQJIJZSGETLQZCH-REJBHVJUSA-J
MW397.11 g/mol
LogP-3.33
Rot. Bonds8

About [[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

[[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 59905522) has the molecular formula C7H14NO12P3-4 and a molecular weight of 397.11 g/mol. Its IUPAC name is [[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

Compound Name[[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
PubChem CID59905522
Molecular FormulaC7H14NO12P3-4
Molecular Weight397.11 g/mol
Exact Mass396.98
IUPAC Name[[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESC[C@H]1CC(O)[C@@](CN)(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
InChIInChI=1S/C7H18NO12P3/c1-5-2-6(9)7(3-8,18-5)4-17-22(13,14)20-23(15,16)19-21(10,11)12/h5-6,9H,2-4,8H2,1H3,(H,13,14)(H,15,16)(H2,10,11,12)/p-4/t5-,6?,7+/m0/s1
InChIKeyQJIJZSGETLQZCH-REJBHVJUSA-J
XLogP-3.33
TPSA226.62 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.11
LogP ≤ 5-3.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze [[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[[(2R,3R,5S)-2-(azidomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 59914489
[[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 59905592
[[(1,2-dihydroxy-4-methylcyclopentyl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 23390087
[(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate
CID 135053951
[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methylamino]-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate
CID 59905576
[[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 22965167
tetraazanium;[[[(2R,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 140691995
[2-(aminomethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] 1-(2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)ethenyl phosphate
CID 22965019
methyl 2-[(2R,3R,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolan-2-yl]acetate
CID 70795420
tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 174864856
heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
CID 160593354
calcium [(2R,3S)-2-ethynyl-3,5-dihydroxyoxolan-2-yl]methyl phosphate
CID 154720211

Frequently Asked Questions

What is the IUPAC name of [[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The IUPAC name of [[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CID 59905522) is [[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.
What is the SMILES notation for [[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The canonical SMILES for [[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is C[C@H]1CC(O)[C@@](CN)(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1.
What is the InChIKey of [[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The InChIKey is QJIJZSGETLQZCH-REJBHVJUSA-J. The full InChI is InChI=1S/C7H18NO12P3/c1-5-2-6(9)7(3-8,18-5)4-17-22(13,14)20-23(15,16)19-21(10,11)12/h5-6,9H,2-4,8H2,1H3,(H,13,14)(H,15,16)(H2,10,11,12)/p-4/t5-,6?,7+/m0/s1.
What are the key properties of [[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
[[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 397.11 g/mol, XLogP of -3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 59905522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).