(3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol

C14H20O5 — CID 139585719

IUPAC(3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol
SMILESCOC1=C(C)OC2OC(C)=CC(C(C)(O)[C@@H](C)O)=C12
InChIInChI=1S/C14H20O5/c1-7-6-10(14(4,16)9(3)15)11-12(17-5)8(2)19-13(11)18-7/h6,9,13,15-16H,1-5H3/t9-,13?,14?/m1/s1
InChIKeyNOLPEUNAHMQEOP-BZFQTPOWSA-N
MW268.31 g/mol
LogP1.58
Rot. Bonds3

About (3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol

(3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol (PubChem CID 139585719) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol.

Molecular Properties

Compound Name(3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol
PubChem CID139585719
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol
SMILESCOC1=C(C)OC2OC(C)=CC(C(C)(O)[C@@H](C)O)=C12
InChIInChI=1S/C14H20O5/c1-7-6-10(14(4,16)9(3)15)11-12(17-5)8(2)19-13(11)18-7/h6,9,13,15-16H,1-5H3/t9-,13?,14?/m1/s1
InChIKeyNOLPEUNAHMQEOP-BZFQTPOWSA-N
XLogP1.58
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol?
The IUPAC name of (3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol (CID 139585719) is (3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol.
What is the SMILES notation for (3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol?
The canonical SMILES for (3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol is COC1=C(C)OC2OC(C)=CC(C(C)(O)[C@@H](C)O)=C12.
What is the InChIKey of (3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol?
The InChIKey is NOLPEUNAHMQEOP-BZFQTPOWSA-N. The full InChI is InChI=1S/C14H20O5/c1-7-6-10(14(4,16)9(3)15)11-12(17-5)8(2)19-13(11)18-7/h6,9,13,15-16H,1-5H3/t9-,13?,14?/m1/s1.
What are the key properties of (3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol?
(3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol has a molecular weight of 268.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)butane-2,3-diol is sourced from PubChem (CID 139585719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).