[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane

C39H90N5O50P11-10 — CID 160947848

IUPAC[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane
SMILESC.C.CNCOCC(COP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OC(COCNC)COP(=O)([O-])OCCOP(=O)([O-])OC(COCNC)COP(=O)([O-])OCCOP(=O)([O-])OC(COCNC)COP(=O)([O-])OCCOP(=O)([O-])OC(CO)COCNC)OP(=O)(O)O
InChIInChI=1S/C37H92N5O50P11.2CH4/c1-38-28-67-19-33(18-43)89-100(59,60)80-15-11-77-97(53,54)85-26-36(22-70-31-41-4)91-102(63,64)82-17-13-79-99(57,58)87-27-37(23-71-32-42-5)92-103(65,66)83-16-12-78-98(55,56)86-25-35(21-69-30-40-3)90-101(61,62)81-14-10-75-95(49,50)73-7-6-72-94(47,48)74-8-9-76-96(51,52)84-24-34(20-68-29-39-2)88-93(44,45)46;;/h33-43H,6-32H2,1-5H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,44,45,46);2*1H4/p-10
InChIKeySVIVEYHZGRBSQW-UHFFFAOYSA-D
MW1769.85 g/mol
LogP-6.81
Rot. Bonds73

About [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane

[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane (PubChem CID 160947848) has the molecular formula C39H90N5O50P11-10 and a molecular weight of 1769.85 g/mol. Its IUPAC name is [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane.

Molecular Properties

Compound Name[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane
PubChem CID160947848
Molecular FormulaC39H90N5O50P11-10
Molecular Weight1769.85 g/mol
Exact Mass1769.18
IUPAC Name[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane
SMILESC.C.CNCOCC(COP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OC(COCNC)COP(=O)([O-])OCCOP(=O)([O-])OC(COCNC)COP(=O)([O-])OCCOP(=O)([O-])OC(COCNC)COP(=O)([O-])OCCOP(=O)([O-])OC(CO)COCNC)OP(=O)(O)O
InChIInChI=1S/C37H92N5O50P11.2CH4/c1-38-28-67-19-33(18-43)89-100(59,60)80-15-11-77-97(53,54)85-26-36(22-70-31-41-4)91-102(63,64)82-17-13-79-99(57,58)87-27-37(23-71-32-42-5)92-103(65,66)83-16-12-78-98(55,56)86-25-35(21-69-30-40-3)90-101(61,62)81-14-10-75-95(49,50)73-7-6-72-94(47,48)74-8-9-76-96(51,52)84-24-34(20-68-29-39-2)88-93(44,45)46;;/h33-43H,6-32H2,1-5H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,44,45,46);2*1H4/p-10
InChIKeySVIVEYHZGRBSQW-UHFFFAOYSA-D
XLogP-6.81
TPSA779.19 Ų
H-Bond Donors8
H-Bond Acceptors53
Rotatable Bonds73
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001769.85
LogP ≤ 5-6.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane with MolForge

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Related Compounds

[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate)
CID 162187127
[2-[[hydroxy-[2-[hydroxy-[1-[hydroxy-[2-[hydroxy-[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxyphosphoryl]oxyethoxy]phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl]oxyphosphoryl]oxyethoxy]phosphoryl]oxymethyl]-3-(methylaminomethoxy)propyl]phosphonic acid
CID 159326286
[2-[[2-[2-[2-[[2-(hydroxymethyl)-3-(methylamino)propoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]-3-(methylamino)propyl] hydrogen phosphate;methane
CID 161451790
(1-hydroxy-3-octadecoxypropan-2-yl) dihydrogen phosphate
CID 18943334
[(2S)-1-hydroxy-3-icosoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate
CID 18666108
[(2S)-1-hexadecoxy-3-hydroxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate
CID 10600815
[(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 24779495
1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrate
CID 87339506
[1-(methylamino)-3-tetradecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate
CID 23313023
[2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane
CID 159543312
[(2R)-1-dodecoxy-3-octadecoxypropan-2-yl] dihydrogen phosphate
CID 21275871
2-[[2-[2-[[hydroxy(methyl)phosphoryl]oxymethyl]butoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxymethyl]butoxy-methylphosphinate;methane
CID 157261172

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane?
The IUPAC name of [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane (CID 160947848) is [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane.
What is the SMILES notation for [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane?
The canonical SMILES for [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane is C.C.CNCOCC(COP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OC(COCNC)COP(=O)([O-])OCCOP(=O)([O-])OC(COCNC)COP(=O)([O-])OCCOP(=O)([O-])OC(COCNC)COP(=O)([O-])OCCOP(=O)([O-])OC(CO)COCNC)OP(=O)(O)O.
What is the InChIKey of [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane?
The InChIKey is SVIVEYHZGRBSQW-UHFFFAOYSA-D. The full InChI is InChI=1S/C37H92N5O50P11.2CH4/c1-38-28-67-19-33(18-43)89-100(59,60)80-15-11-77-97(53,54)85-26-36(22-70-31-41-4)91-102(63,64)82-17-13-79-99(57,58)87-27-37(23-71-32-42-5)92-103(65,66)83-16-12-78-98(55,56)86-25-35(21-69-30-40-3)90-101(61,62)81-14-10-75-95(49,50)73-7-6-72-94(47,48)74-8-9-76-96(51,52)84-24-34(20-68-29-39-2)88-93(44,45)46;;/h33-43H,6-32H2,1-5H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,44,45,46);2*1H4/p-10.
What are the key properties of [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane?
[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane has a molecular weight of 1769.85 g/mol, XLogP of -6.81, 73 rotatable bonds, 8 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane is sourced from PubChem (CID 160947848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).