benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate

C94H101O18P — CID 146946019

IUPACbenzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate
SMILESO=P(OCc1ccccc1)(OCC(OCc1ccccc1)C(OCc1ccccc1)C(CO[C@H]1CC(O)[C@@H](COCc2ccccc2)O1)OCc1ccccc1)OC1C[C@H](OCC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccc3ccccc3c2)OCc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C94H101O18P/c95-83-53-91(110-85(83)65-97-55-71-30-10-1-11-31-71)104-68-89(102-60-75-38-18-5-19-39-75)94(107-63-78-44-24-8-25-45-78)90(103-61-76-40-20-6-21-41-76)70-109-113(96,108-64-79-46-26-9-27-47-79)112-84-54-92(111-86(84)66-98-56-72-32-12-2-13-33-72)105-69-88(101-59-74-36-16-4-17-37-74)93(106-62-77-42-22-7-23-43-77)87(100-58-73-34-14-3-15-35-73)67-99-57-80-50-51-81-48-28-29-49-82(81)52-80/h1-52,83-95H,53-70H2/t83?,84?,85-,86-,87?,88?,89?,90?,91-,92-,93?,94?,113?/m1/s1
InChIKeyAHURMBZDWIWYHQ-MZSFFVBWSA-N
MW1549.80 g/mol
LogP17.65
Rot. Bonds48

About benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate

benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate (PubChem CID 146946019) has the molecular formula C94H101O18P and a molecular weight of 1549.80 g/mol. Its IUPAC name is benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate.

Molecular Properties

Compound Namebenzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate
PubChem CID146946019
Molecular FormulaC94H101O18P
Molecular Weight1549.80 g/mol
Exact Mass1548.67
IUPAC Namebenzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate
SMILESO=P(OCc1ccccc1)(OCC(OCc1ccccc1)C(OCc1ccccc1)C(CO[C@H]1CC(O)[C@@H](COCc2ccccc2)O1)OCc1ccccc1)OC1C[C@H](OCC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccc3ccccc3c2)OCc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C94H101O18P/c95-83-53-91(110-85(83)65-97-55-71-30-10-1-11-31-71)104-68-89(102-60-75-38-18-5-19-39-75)94(107-63-78-44-24-8-25-45-78)90(103-61-76-40-20-6-21-41-76)70-109-113(96,108-64-79-46-26-9-27-47-79)112-84-54-92(111-86(84)66-98-56-72-32-12-2-13-33-72)105-69-88(101-59-74-36-16-4-17-37-74)93(106-62-77-42-22-7-23-43-77)87(100-58-73-34-14-3-15-35-73)67-99-57-80-50-51-81-48-28-29-49-82(81)52-80/h1-52,83-95H,53-70H2/t83?,84?,85-,86-,87?,88?,89?,90?,91-,92-,93?,94?,113?/m1/s1
InChIKeyAHURMBZDWIWYHQ-MZSFFVBWSA-N
XLogP17.65
TPSA184.98 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds48
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001549.80
LogP ≤ 517.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate with MolForge

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Related Compounds

benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate
CID 159669661
[4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate
CID 134222070
(4aR,6R,7S)-7-fluoro-2,2-dimethyl-6-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine;(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-ol
CID 158866324
(2R,4S,5R)-2-ethyl-4-methoxy-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-3-phenylmethoxyoxolane;(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-ol
CID 159078518
(4S)-4-(naphthalen-2-ylmethoxymethyl)-2-phenyl-1,3-dioxan-5-ol
CID 71170081
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol
CID 25193976
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2R,3R,4S,5R,6R)-2-(naphthalen-2-ylmethoxymethyl)-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxan-3-ol
CID 101187106
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
(2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane
CID 14211901
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612

Frequently Asked Questions

What is the IUPAC name of benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate?
The IUPAC name of benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate (CID 146946019) is benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate.
What is the SMILES notation for benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate?
The canonical SMILES for benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate is O=P(OCc1ccccc1)(OCC(OCc1ccccc1)C(OCc1ccccc1)C(CO[C@H]1CC(O)[C@@H](COCc2ccccc2)O1)OCc1ccccc1)OC1C[C@H](OCC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccc3ccccc3c2)OCc2ccccc2)O[C@@H]1COCc1ccccc1.
What is the InChIKey of benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate?
The InChIKey is AHURMBZDWIWYHQ-MZSFFVBWSA-N. The full InChI is InChI=1S/C94H101O18P/c95-83-53-91(110-85(83)65-97-55-71-30-10-1-11-31-71)104-68-89(102-60-75-38-18-5-19-39-75)94(107-63-78-44-24-8-25-45-78)90(103-61-76-40-20-6-21-41-76)70-109-113(96,108-64-79-46-26-9-27-47-79)112-84-54-92(111-86(84)66-98-56-72-32-12-2-13-33-72)105-69-88(101-59-74-36-16-4-17-37-74)93(106-62-77-42-22-7-23-43-77)87(100-58-73-34-14-3-15-35-73)67-99-57-80-50-51-81-48-28-29-49-82(81)52-80/h1-52,83-95H,53-70H2/t83?,84?,85-,86-,87?,88?,89?,90?,91-,92-,93?,94?,113?/m1/s1.
What are the key properties of benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate?
benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate has a molecular weight of 1549.80 g/mol, XLogP of 17.65, 48 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate is sourced from PubChem (CID 146946019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).