strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride

C29H33NO5Sr — CID 173480507

IUPACstrontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride
SMILESCC(=O)NC1[CH-]OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.[H-].[Sr+2]
InChIInChI=1S/C29H32NO5.Sr.H/c1-22(31)30-26-20-33-27(21-32-17-23-11-5-2-6-12-23)29(35-19-25-15-9-4-10-16-25)28(26)34-18-24-13-7-3-8-14-24;;/h2-16,20,26-29H,17-19,21H2,1H3,(H,30,31);;/q-1;+2;-1/t26?,27?,28-,29+;;/m0../s1
InChIKeyRNPOLDJRJYEWPC-GLWVZRRQSA-N
MW563.21 g/mol
LogP4.17
Rot. Bonds11

About strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride

strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride (PubChem CID 173480507) has the molecular formula C29H33NO5Sr and a molecular weight of 563.21 g/mol. Its IUPAC name is strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride.

Molecular Properties

Compound Namestrontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride
PubChem CID173480507
Molecular FormulaC29H33NO5Sr
Molecular Weight563.21 g/mol
Exact Mass563.14
IUPAC Namestrontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride
SMILESCC(=O)NC1[CH-]OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.[H-].[Sr+2]
InChIInChI=1S/C29H32NO5.Sr.H/c1-22(31)30-26-20-33-27(21-32-17-23-11-5-2-6-12-23)29(35-19-25-15-9-4-10-16-25)28(26)34-18-24-13-7-3-8-14-24;;/h2-16,20,26-29H,17-19,21H2,1H3,(H,30,31);;/q-1;+2;-1/t26?,27?,28-,29+;;/m0../s1
InChIKeyRNPOLDJRJYEWPC-GLWVZRRQSA-N
XLogP4.17
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.21
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 10627095
N-[(3S,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 163997809
methyl (2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylate
CID 11214760
N-[(2S,3S,4S,5R,6R)-3-iodo-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 132563700
N-[(3S,4R,5S,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 167040683
N-[(2R,3S,4S,5R,6R)-3-chloro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 23730048
N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 45050683
N-[(2R,3S,4R,5R,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 124526322
N-[(3R,4R,5S,6R)-2-ethoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 102583190
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 561002
N-[(3R,4S,5S,6R)-2-chloro-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]acetamide
CID 54321501

Frequently Asked Questions

What is the IUPAC name of strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride?
The IUPAC name of strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride (CID 173480507) is strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride.
What is the SMILES notation for strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride?
The canonical SMILES for strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride is CC(=O)NC1[CH-]OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.[H-].[Sr+2].
What is the InChIKey of strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride?
The InChIKey is RNPOLDJRJYEWPC-GLWVZRRQSA-N. The full InChI is InChI=1S/C29H32NO5.Sr.H/c1-22(31)30-26-20-33-27(21-32-17-23-11-5-2-6-12-23)29(35-19-25-15-9-4-10-16-25)28(26)34-18-24-13-7-3-8-14-24;;/h2-16,20,26-29H,17-19,21H2,1H3,(H,30,31);;/q-1;+2;-1/t26?,27?,28-,29+;;/m0../s1.
What are the key properties of strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride?
strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride has a molecular weight of 563.21 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;N-[(4S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,4,5,6-tetrahydro-2H-pyran-2-id-3-yl]acetamide;hydride is sourced from PubChem (CID 173480507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).