(2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol

C7H10O4 — CID 89271123

IUPAC(2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol
SMILESC=C1[C@@H](O)CO/C(=C/O)[C@H]1O
InChIInChI=1S/C7H10O4/c1-4-5(9)3-11-6(2-8)7(4)10/h2,5,7-10H,1,3H2/b6-2+/t5-,7-/m0/s1
InChIKeyPNWUYVJJVBHKKW-YWDJJHPESA-N
MW158.15 g/mol
LogP-0.31
Rot. Bonds

About (2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol

(2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol (PubChem CID 89271123) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol.

Molecular Properties

Compound Name(2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol
PubChem CID89271123
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol
SMILESC=C1[C@@H](O)CO/C(=C/O)[C@H]1O
InChIInChI=1S/C7H10O4/c1-4-5(9)3-11-6(2-8)7(4)10/h2,5,7-10H,1,3H2/b6-2+/t5-,7-/m0/s1
InChIKeyPNWUYVJJVBHKKW-YWDJJHPESA-N
XLogP-0.31
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

D-Galactal
CID 2734735
D-(+)-Glucal
CID 2734736
Lichenan
CID 439241
d-Glucal
CID 114633
2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 89465
4-Methylideneoxan-3-ol
CID 12514388
1,5-Anhydro-D-Arabino-Hex-1-Enitol
CID 24885981
(2R,3S,4S)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxolane-3,4-diol
CID 56947165
2,6-Anhydro-1-deoxygluco-hept-1-enitol
CID 188267
2,6-Anhydro-1-deoxygalacto-hept-1-enitol
CID 70004438
(3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 59658630
(2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol
CID 155943828

Frequently Asked Questions

What is the IUPAC name of (2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol?
The IUPAC name of (2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol (CID 89271123) is (2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol.
What is the SMILES notation for (2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol?
The canonical SMILES for (2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol is C=C1[C@@H](O)CO/C(=C/O)[C@H]1O.
What is the InChIKey of (2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol?
The InChIKey is PNWUYVJJVBHKKW-YWDJJHPESA-N. The full InChI is InChI=1S/C7H10O4/c1-4-5(9)3-11-6(2-8)7(4)10/h2,5,7-10H,1,3H2/b6-2+/t5-,7-/m0/s1.
What are the key properties of (2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol?
(2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol has a molecular weight of 158.15 g/mol, XLogP of -0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3S,5R)-2-(hydroxymethylidene)-4-methylideneoxane-3,5-diol is sourced from PubChem (CID 89271123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).