(2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane

C23H39O10P — CID 10413858

IUPAC(2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane
SMILESCCOP(=O)(CC[C@H]1O[C@H](OC)[C@H](OCOC)[C@@H](OCOC)[C@@H]1OCc1ccccc1)OCC
InChIInChI=1S/C23H39O10P/c1-6-31-34(24,32-7-2)14-13-19-20(28-15-18-11-9-8-10-12-18)21(29-16-25-3)22(30-17-26-4)23(27-5)33-19/h8-12,19-23H,6-7,13-17H2,1-5H3/t19-,20-,21+,22-,23+/m1/s1
InChIKeyVPLQRRUHXYNBSK-ZQGJOIPISA-N
MW506.53 g/mol
LogP3.58
Rot. Bonds17

About (2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane

(2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane (PubChem CID 10413858) has the molecular formula C23H39O10P and a molecular weight of 506.53 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane
PubChem CID10413858
Molecular FormulaC23H39O10P
Molecular Weight506.53 g/mol
Exact Mass506.23
IUPAC Name(2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane
SMILESCCOP(=O)(CC[C@H]1O[C@H](OC)[C@H](OCOC)[C@@H](OCOC)[C@@H]1OCc1ccccc1)OCC
InChIInChI=1S/C23H39O10P/c1-6-31-34(24,32-7-2)14-13-19-20(28-15-18-11-9-8-10-12-18)21(29-16-25-3)22(30-17-26-4)23(27-5)33-19/h8-12,19-23H,6-7,13-17H2,1-5H3/t19-,20-,21+,22-,23+/m1/s1
InChIKeyVPLQRRUHXYNBSK-ZQGJOIPISA-N
XLogP3.58
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane 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

Hydrangeifolin I
CID 10549806
(2R,4aR,6S,7S,8R,8aR)-6-allyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 15954357
(2S,3R,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 68654071
Benzyl 2,3,4,6-Tetra-O-acetyl-beta-D-Glucopyranoside
CID 2728829
(2-Methoxy-6-methyl-5-phenylmethoxy-3-sulfooxyoxan-4-yl) hydrogen sulfate
CID 44291903
(2R,3R,4S,5R,6S)-4-heptoxy-3-methoxy-2-(2-methylpropyl)-5,6-bis(phenylmethoxy)oxane
CID 44385659
(2R,3R,4S,5R,6S)-4-heptoxy-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,5-diol
CID 44386638
[(2R,3R,4S,5S,6R)-3,4,5-tri(butanoyloxy)-6-[phenylmethoxy-[(2R,3S,4S,5R,6R)-3,4,5-tri(butanoyloxy)-6-(butanoyloxymethyl)oxan-2-yl]oxyphosphoryl]oxyoxan-2-yl]methyl butanoate
CID 44425860
(2S,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(1-phenylpropoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 71716635
[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]methyl-methoxyphosphinic acid
CID 145981328
[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2,5-bis(phenylmethoxy)oxan-3-yl]methyl-methoxyphosphinic acid
CID 145981422
[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methyl-methoxyphosphinic acid
CID 145987981

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane (CID 10413858) is (2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane is CCOP(=O)(CC[C@H]1O[C@H](OC)[C@H](OCOC)[C@@H](OCOC)[C@@H]1OCc1ccccc1)OCC.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane?
The InChIKey is VPLQRRUHXYNBSK-ZQGJOIPISA-N. The full InChI is InChI=1S/C23H39O10P/c1-6-31-34(24,32-7-2)14-13-19-20(28-15-18-11-9-8-10-12-18)21(29-16-25-3)22(30-17-26-4)23(27-5)33-19/h8-12,19-23H,6-7,13-17H2,1-5H3/t19-,20-,21+,22-,23+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane?
(2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane has a molecular weight of 506.53 g/mol, XLogP of 3.58, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(2-diethoxyphosphorylethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane is sourced from PubChem (CID 10413858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).