[(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

C61H64O23P4 — CID 102403560

IUPAC[(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
SMILESO=P(O)(OC[C@H]1OCC[C@@H]1O)O[C@H]1CCO[C@@H]1COP(=O)(O)O[C@H]1CCO[C@@H]1COP(=O)(O)O[C@H]1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](c2ccc3c4cccc5cccc(c6cccc2c63)c54)O[C@@H]1CO
InChIInChI=1S/C61H64O23P4/c62-29-53-51(27-49(79-53)39-19-20-45-42-10-3-8-34-7-2-9-41(59(34)42)43-12-4-11-40(39)61(43)45)83-88(70,71)78-33-57-52(28-50(80-57)38-17-15-37-14-13-35-5-1-6-36-16-18-44(38)60(37)58(35)36)84-87(68,69)77-32-56-48(23-26-74-56)82-86(66,67)76-31-55-47(22-25-73-55)81-85(64,65)75-30-54-46(63)21-24-72-54/h1-20,46-57,62-63H,21-33H2,(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t46-,47-,48-,49+,50+,51-,52-,53+,54+,55+,56+,57+/m0/s1
InChIKeyKRWDMSOUBSVAPN-ZHJJYRLSSA-N
MW1289.06 g/mol
LogP10.72
Rot. Bonds23

About [(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

[(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate (PubChem CID 102403560) has the molecular formula C61H64O23P4 and a molecular weight of 1289.06 g/mol. Its IUPAC name is [(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
PubChem CID102403560
Molecular FormulaC61H64O23P4
Molecular Weight1289.06 g/mol
Exact Mass1288.28
IUPAC Name[(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
SMILESO=P(O)(OC[C@H]1OCC[C@@H]1O)O[C@H]1CCO[C@@H]1COP(=O)(O)O[C@H]1CCO[C@@H]1COP(=O)(O)O[C@H]1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](c2ccc3c4cccc5cccc(c6cccc2c63)c54)O[C@@H]1CO
InChIInChI=1S/C61H64O23P4/c62-29-53-51(27-49(79-53)39-19-20-45-42-10-3-8-34-7-2-9-41(59(34)42)43-12-4-11-40(39)61(43)45)83-88(70,71)78-33-57-52(28-50(80-57)38-17-15-37-14-13-35-5-1-6-36-16-18-44(38)60(37)58(35)36)84-87(68,69)77-32-56-48(23-26-74-56)82-86(66,67)76-31-55-47(22-25-73-55)81-85(64,65)75-30-54-46(63)21-24-72-54/h1-20,46-57,62-63H,21-33H2,(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t46-,47-,48-,49+,50+,51-,52-,53+,54+,55+,56+,57+/m0/s1
InChIKeyKRWDMSOUBSVAPN-ZHJJYRLSSA-N
XLogP10.72
TPSA309.65 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001289.06
LogP ≤ 510.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze [(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate with MolForge

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Related Compounds

[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 101369485
(2R,3S)-2-(hydroxymethyl)-5-pyren-1-yloxolan-3-ol
CID 87769450
CID 88941325
CID 88941325
ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 130330647
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
[5-(hydroxymethyl)-2-pyren-1-yl-1,3-dioxolan-4-yl]methanol
CID 151673911
CID 91242813
CID 91242813
[(2R,5R)-5-(aminomethylideneamino)-2-(hydroxymethyl)oxolan-3-yl] [(2R,5R)-5-(aminomethylideneamino)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 174033171
[(2R,3R)-2-[[hydroxy-[(2R,3R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate
CID 160690074
[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
CID 118244710
hentetracontyl [(2R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 155649833

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
The IUPAC name of [(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate (CID 102403560) is [(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate.
What is the SMILES notation for [(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
The canonical SMILES for [(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate is O=P(O)(OC[C@H]1OCC[C@@H]1O)O[C@H]1CCO[C@@H]1COP(=O)(O)O[C@H]1CCO[C@@H]1COP(=O)(O)O[C@H]1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](c2ccc3c4cccc5cccc(c6cccc2c63)c54)O[C@@H]1CO.
What is the InChIKey of [(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
The InChIKey is KRWDMSOUBSVAPN-ZHJJYRLSSA-N. The full InChI is InChI=1S/C61H64O23P4/c62-29-53-51(27-49(79-53)39-19-20-45-42-10-3-8-34-7-2-9-41(59(34)42)43-12-4-11-40(39)61(43)45)83-88(70,71)78-33-57-52(28-50(80-57)38-17-15-37-14-13-35-5-1-6-36-16-18-44(38)60(37)58(35)36)84-87(68,69)77-32-56-48(23-26-74-56)82-86(66,67)76-31-55-47(22-25-73-55)81-85(64,65)75-30-54-46(63)21-24-72-54/h1-20,46-57,62-63H,21-33H2,(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t46-,47-,48-,49+,50+,51-,52-,53+,54+,55+,56+,57+/m0/s1.
What are the key properties of [(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate?
[(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate has a molecular weight of 1289.06 g/mol, XLogP of 10.72, 23 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[[hydroxy-[(2R,3S)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-perylen-3-yloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-pyren-1-yloxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 102403560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).