methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate

C10H16O8 — CID 171620783

IUPACmethyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate
SMILESCOC(=O)C1OC(CO)C2OC(OC)C(O)C2O1
InChIInChI=1S/C10H16O8/c1-14-8(13)10-16-4(3-11)6-7(18-10)5(12)9(15-2)17-6/h4-7,9-12H,3H2,1-2H3
InChIKeyGPMCDKMPZKVARU-UHFFFAOYSA-N
MW264.23 g/mol
LogP-2.01
Rot. Bonds3

About methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate

methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate (PubChem CID 171620783) has the molecular formula C10H16O8 and a molecular weight of 264.23 g/mol. Its IUPAC name is methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate
PubChem CID171620783
Molecular FormulaC10H16O8
Molecular Weight264.23 g/mol
Exact Mass264.08
IUPAC Namemethyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate
SMILESCOC(=O)C1OC(CO)C2OC(OC)C(O)C2O1
InChIInChI=1S/C10H16O8/c1-14-8(13)10-16-4(3-11)6-7(18-10)5(12)9(15-2)17-6/h4-7,9-12H,3H2,1-2H3
InChIKeyGPMCDKMPZKVARU-UHFFFAOYSA-N
XLogP-2.01
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate with MolForge

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Related Compounds

(1R,2R,4S,5R,6S)-2-(hydroxymethyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 102017861
(3aS,4R,6R,7R,7aR)-7-hydroxy-4-(hydroxymethyl)-6-methoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
CID 15690739
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
[(1S,2S,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 98058853
[(1R,2R,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 11147798
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
[(1S,2R,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 124541021
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate?
The IUPAC name of methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate (CID 171620783) is methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate?
The canonical SMILES for methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate is COC(=O)C1OC(CO)C2OC(OC)C(O)C2O1.
What is the InChIKey of methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate?
The InChIKey is GPMCDKMPZKVARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O8/c1-14-8(13)10-16-4(3-11)6-7(18-10)5(12)9(15-2)17-6/h4-7,9-12H,3H2,1-2H3.
What are the key properties of methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate?
methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate has a molecular weight of 264.23 g/mol, XLogP of -2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-4-(hydroxymethyl)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-2-carboxylate is sourced from PubChem (CID 171620783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).