[6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

C16H27N3O23P6-6 — CID 148543083

IUPAC[6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESCc1cn([C@H]2CC(O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCCCCCCN)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H33N3O23P6/c1-11-9-19(16(22)18-15(11)21)14-8-12(20)13(37-14)10-36-44(25,26)39-46(29,30)41-48(33,34)42-47(31,32)40-45(27,28)38-43(23,24)35-7-5-3-2-4-6-17/h9,12-14,20H,2-8,10,17H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,18,21,22)/p-6/t12?,13-,14-/m1/s1
InChIKeyMSOIVWZIZLZXKQ-ILMHWDKJSA-H
MW815.23 g/mol
LogP-3.06
Rot. Bonds21

About [6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

[6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 148543083) has the molecular formula C16H27N3O23P6-6 and a molecular weight of 815.23 g/mol. Its IUPAC name is [6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

Compound Name[6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
PubChem CID148543083
Molecular FormulaC16H27N3O23P6-6
Molecular Weight815.23 g/mol
Exact Mass814.95
IUPAC Name[6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESCc1cn([C@H]2CC(O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCCCCCCN)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H33N3O23P6/c1-11-9-19(16(22)18-15(11)21)14-8-12(20)13(37-14)10-36-44(25,26)39-46(29,30)41-48(33,34)42-47(31,32)40-45(27,28)38-43(23,24)35-7-5-3-2-4-6-17/h9,12-14,20H,2-8,10,17H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,18,21,22)/p-6/t12?,13-,14-/m1/s1
InChIKeyMSOIVWZIZLZXKQ-ILMHWDKJSA-H
XLogP-3.06
TPSA415.73 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.23
LogP ≤ 5-3.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze [6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate with MolForge

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Related Compounds

[6-aminohexoxy(hydroxy)phosphoryl] [hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl] hydrogen phosphate
CID 89021786
[2-[[6-aminohexoxy(hydroxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 118682777
disodium;[(2R,3S,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl phosphate
CID 172897616
disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 132777756
[(2R,3S,5R,6R)-3,5-dihydroxy-6-methyl-4-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
CID 56927803
[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 4582639
[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,6S)-4-hydroxy-6-methyl-5-oxooxan-2-yl] phosphate
CID 90657968
tetrasodium;[[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-oxidophosphoryl] phosphate
CID 172874745
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] pentyl hydrogen phosphate
CID 175676040
[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
CID 86289512
[(2R,3R,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494068
[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 20711568

Frequently Asked Questions

What is the IUPAC name of [6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The IUPAC name of [6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CID 148543083) is [6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.
What is the SMILES notation for [6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The canonical SMILES for [6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is Cc1cn([C@H]2CC(O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCCCCCCN)O2)c(=O)[nH]c1=O.
What is the InChIKey of [6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The InChIKey is MSOIVWZIZLZXKQ-ILMHWDKJSA-H. The full InChI is InChI=1S/C16H33N3O23P6/c1-11-9-19(16(22)18-15(11)21)14-8-12(20)13(37-14)10-36-44(25,26)39-46(29,30)41-48(33,34)42-47(31,32)40-45(27,28)38-43(23,24)35-7-5-3-2-4-6-17/h9,12-14,20H,2-8,10,17H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,18,21,22)/p-6/t12?,13-,14-/m1/s1.
What are the key properties of [6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
[6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 815.23 g/mol, XLogP of -3.06, 21 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [6-aminohexoxy(oxido)phosphoryl] [[[[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 148543083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).