[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol

C22H32NO11P — CID 67409278

IUPAC[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.NC(CO)(CO)COP(=O)(O)O
InChIInChI=1S/C18H20O5.C4H12NO6P/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3;5-4(1-6,2-7)3-11-12(8,9)10/h5-11,19H,1-4H3;6-7H,1-3,5H2,(H2,8,9,10)/b6-5-;
InChIKeyCDGBIFCLOUWLTB-YSMBQZINSA-N
MW517.47 g/mol
LogP1.37
Rot. Bonds11

About [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol

[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (PubChem CID 67409278) has the molecular formula C22H32NO11P and a molecular weight of 517.47 g/mol. Its IUPAC name is [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
PubChem CID67409278
Molecular FormulaC22H32NO11P
Molecular Weight517.47 g/mol
Exact Mass517.17
IUPAC Name[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.NC(CO)(CO)COP(=O)(O)O
InChIInChI=1S/C18H20O5.C4H12NO6P/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3;5-4(1-6,2-7)3-11-12(8,9)10/h5-11,19H,1-4H3;6-7H,1-3,5H2,(H2,8,9,10)/b6-5-;
InChIKeyCDGBIFCLOUWLTB-YSMBQZINSA-N
XLogP1.37
TPSA190.39 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.47
LogP ≤ 51.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
5-[(Z)-2-(3-fluorosulfonyloxy-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 163428609
2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 139943086
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
dibenzyl hydrogen phosphite;dibenzyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 91462583
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
sodium [2-methoxy-3-phosphonooxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 10142508
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
3-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 53402077
[2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate
CID 137451049
[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 53465498

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The IUPAC name of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (CID 67409278) is [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.
What is the SMILES notation for [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The canonical SMILES for [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.NC(CO)(CO)COP(=O)(O)O.
What is the InChIKey of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The InChIKey is CDGBIFCLOUWLTB-YSMBQZINSA-N. The full InChI is InChI=1S/C18H20O5.C4H12NO6P/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3;5-4(1-6,2-7)3-11-12(8,9)10/h5-11,19H,1-4H3;6-7H,1-3,5H2,(H2,8,9,10)/b6-5-;.
What are the key properties of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol has a molecular weight of 517.47 g/mol, XLogP of 1.37, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 67409278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).