(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol

C8H14O5 — CID 54319451

IUPAC(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol
SMILESC=CCOC1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-2-3-12-8-7(11)6(10)5(9)4-13-8/h2,5-11H,1,3-4H2/t5-,6+,7-,8?/m1/s1
InChIKeySQPCRAFFYUVIQE-MOMMNUENSA-N
MW190.19 g/mol
LogP-1.37
Rot. Bonds3

About (3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol

(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol (PubChem CID 54319451) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol
PubChem CID54319451
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol
SMILESC=CCOC1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-2-3-12-8-7(11)6(10)5(9)4-13-8/h2,5-11H,1,3-4H2/t5-,6+,7-,8?/m1/s1
InChIKeySQPCRAFFYUVIQE-MOMMNUENSA-N
XLogP-1.37
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 101401695
(2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol
CID 67633696
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919
(2R,3R,4S,5S)-2-(2-chloroethoxy)oxane-3,4,5-triol
CID 131000327
(3aS,7R,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 102038161
(2S)-2-(prop-2-enoxycarbonylamino)-3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropanoic acid
CID 139629217
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
(2S,3S)-2-prop-2-enoxyoxan-3-ol
CID 130770210
(3S,3aR,6S,6aR)-6-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 14307950
methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 159923464

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol?
The IUPAC name of (3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol (CID 54319451) is (3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol is C=CCOC1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol?
The InChIKey is SQPCRAFFYUVIQE-MOMMNUENSA-N. The full InChI is InChI=1S/C8H14O5/c1-2-3-12-8-7(11)6(10)5(9)4-13-8/h2,5-11H,1,3-4H2/t5-,6+,7-,8?/m1/s1.
What are the key properties of (3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol?
(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol has a molecular weight of 190.19 g/mol, XLogP of -1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol is sourced from PubChem (CID 54319451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).