N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine

C23H32NO7P — CID 102325605

IUPACN-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine
SMILESCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](CCNP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H]1OC
InChIInChI=1S/C23H32NO7P/c1-17-21(26-2)23(28-4)22(27-3)20(29-17)15-16-24-32(25,30-18-11-7-5-8-12-18)31-19-13-9-6-10-14-19/h5-14,17,20-23H,15-16H2,1-4H3,(H,24,25)/t17-,20-,21-,22-,23+/m0/s1
InChIKeyJWIVTLPNTBUKOZ-DIMAQAOGSA-N
MW465.48 g/mol
LogP4.06
Rot. Bonds11

About N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine

N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine (PubChem CID 102325605) has the molecular formula C23H32NO7P and a molecular weight of 465.48 g/mol. Its IUPAC name is N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine.

Molecular Properties

Compound NameN-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine
PubChem CID102325605
Molecular FormulaC23H32NO7P
Molecular Weight465.48 g/mol
Exact Mass465.19
IUPAC NameN-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine
SMILESCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](CCNP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H]1OC
InChIInChI=1S/C23H32NO7P/c1-17-21(26-2)23(28-4)22(27-3)20(29-17)15-16-24-32(25,30-18-11-7-5-8-12-18)31-19-13-9-6-10-14-19/h5-14,17,20-23H,15-16H2,1-4H3,(H,24,25)/t17-,20-,21-,22-,23+/m0/s1
InChIKeyJWIVTLPNTBUKOZ-DIMAQAOGSA-N
XLogP4.06
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine with MolForge

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Related Compounds

N-diphenoxyphosphoryl-1-[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanamine
CID 10983685
N-diphenoxyphosphoryl-2-phenylethanamine
CID 26793774
4-(diphenoxyphosphorylamino)butanoic acid
CID 164912358
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide
CID 140893873
methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate
CID 129125500
3-[[methoxy(phenoxy)phosphoryl]amino]oxolan-2-one
CID 150064930
(2R)-N-diphenoxyphosphorylpropan-2-amine;hydron
CID 139084842
N-diphenoxyphosphoryl-1-phenylethanamine
CID 4689320
ethyl 2-(diphenoxyphosphorylamino)acetate
CID 23242085
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-6-diphenoxyphosphoryloxy-2-methyloxan-3-yl] acetate
CID 14778336
(4-acetyloxy-3-methoxy-5-methyloxolan-2-yl)methyl benzoate
CID 167200917

Frequently Asked Questions

What is the IUPAC name of N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine?
The IUPAC name of N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine (CID 102325605) is N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine.
What is the SMILES notation for N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine?
The canonical SMILES for N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine is CO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](CCNP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H]1OC.
What is the InChIKey of N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine?
The InChIKey is JWIVTLPNTBUKOZ-DIMAQAOGSA-N. The full InChI is InChI=1S/C23H32NO7P/c1-17-21(26-2)23(28-4)22(27-3)20(29-17)15-16-24-32(25,30-18-11-7-5-8-12-18)31-19-13-9-6-10-14-19/h5-14,17,20-23H,15-16H2,1-4H3,(H,24,25)/t17-,20-,21-,22-,23+/m0/s1.
What are the key properties of N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine?
N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine has a molecular weight of 465.48 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine is sourced from PubChem (CID 102325605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).