(2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol

C13H24O5 — CID 89046684

IUPAC(2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol
SMILESC=C[C@H](O)[C@@H](CO)O[C@@H]1OC(C)(C)O[C@@H]1C(C)C
InChIInChI=1S/C13H24O5/c1-6-9(15)10(7-14)16-12-11(8(2)3)17-13(4,5)18-12/h6,8-12,14-15H,1,7H2,2-5H3/t9-,10+,11+,12+/m0/s1
InChIKeySOLZQEQGTUCPFZ-IRCOFANPSA-N
MW260.33 g/mol
LogP1.04
Rot. Bonds6

About (2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol

(2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol (PubChem CID 89046684) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol.

Molecular Properties

Compound Name(2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol
PubChem CID89046684
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name(2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol
SMILESC=C[C@H](O)[C@@H](CO)O[C@@H]1OC(C)(C)O[C@@H]1C(C)C
InChIInChI=1S/C13H24O5/c1-6-9(15)10(7-14)16-12-11(8(2)3)17-13(4,5)18-12/h6,8-12,14-15H,1,7H2,2-5H3/t9-,10+,11+,12+/m0/s1
InChIKeySOLZQEQGTUCPFZ-IRCOFANPSA-N
XLogP1.04
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol?
The IUPAC name of (2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol (CID 89046684) is (2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol.
What is the SMILES notation for (2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol?
The canonical SMILES for (2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol is C=C[C@H](O)[C@@H](CO)O[C@@H]1OC(C)(C)O[C@@H]1C(C)C.
What is the InChIKey of (2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol?
The InChIKey is SOLZQEQGTUCPFZ-IRCOFANPSA-N. The full InChI is InChI=1S/C13H24O5/c1-6-9(15)10(7-14)16-12-11(8(2)3)17-13(4,5)18-12/h6,8-12,14-15H,1,7H2,2-5H3/t9-,10+,11+,12+/m0/s1.
What are the key properties of (2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol?
(2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol has a molecular weight of 260.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]oxy]pent-4-ene-1,3-diol is sourced from PubChem (CID 89046684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).