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

C18H26O7 — CID 10247548

IUPAC(2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane
SMILESC=C1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCOC)[C@@H]1OCOC
InChIInChI=1S/C18H26O7/c1-13-15(23-11-19-2)16(24-12-20-3)17(18(21-4)25-13)22-10-14-8-6-5-7-9-14/h5-9,15-18H,1,10-12H2,2-4H3/t15-,16+,17-,18+/m1/s1
InChIKeyPXAXUGZAZDMQFK-XDNAFOTISA-N
MW354.40 g/mol
LogP2.07
Rot. Bonds10

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

(2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane (PubChem CID 10247548) has the molecular formula C18H26O7 and a molecular weight of 354.40 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane
PubChem CID10247548
Molecular FormulaC18H26O7
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name(2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane
SMILESC=C1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCOC)[C@@H]1OCOC
InChIInChI=1S/C18H26O7/c1-13-15(23-11-19-2)16(24-12-20-3)17(18(21-4)25-13)22-10-14-8-6-5-7-9-14/h5-9,15-18H,1,10-12H2,2-4H3/t15-,16+,17-,18+/m1/s1
InChIKeyPXAXUGZAZDMQFK-XDNAFOTISA-N
XLogP2.07
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5S)-5-[(2-iodophenyl)methoxy]-2-methoxy-6-methylidene-3,4-bis(phenylmethoxy)oxane
CID 15331362
(2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10581132
(3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 162538393
(2S,3R,4S,5S)-2-[(1R,2S,3S,4S,6R)-4-methoxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexyl]oxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
CID 135050697
3-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxan-2-yl]prop-1-ynyl-trimethylsilane
CID 10456547
(2S,3S,4R,5S)-2-ethenyl-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
CID 101055256
[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl acetate
CID 73106838
[(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate
CID 10839231
(2R,3R,4S,5R,6S)-2-(1,3-dithian-2-ylmethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane
CID 10390158
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3S,4S,5R,6S)-2-methoxy-5,6-dimethyl-3,4-bis(phenylmethoxy)oxepane
CID 58510389
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane?
The IUPAC name of (2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane (CID 10247548) is (2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane.
What is the SMILES notation for (2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane?
The canonical SMILES for (2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane is C=C1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCOC)[C@@H]1OCOC.
What is the InChIKey of (2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane?
The InChIKey is PXAXUGZAZDMQFK-XDNAFOTISA-N. The full InChI is InChI=1S/C18H26O7/c1-13-15(23-11-19-2)16(24-12-20-3)17(18(21-4)25-13)22-10-14-8-6-5-7-9-14/h5-9,15-18H,1,10-12H2,2-4H3/t15-,16+,17-,18+/m1/s1.
What are the key properties of (2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane?
(2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane has a molecular weight of 354.40 g/mol, XLogP of 2.07, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane is sourced from PubChem (CID 10247548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).