CID 123292061

C10H15BO4 — CID 123292061

IUPAC—
SMILES[B]C1OC(CO)C(O)C1(O)C=C=C(C)C
InChIInChI=1S/C10H15BO4/c1-6(2)3-4-10(14)8(13)7(5-12)15-9(10)11/h4,7-9,12-14H,5H2,1-2H3
InChIKeyYMMFAEXWUJPUBZ-UHFFFAOYSA-N
MW210.04 g/mol
LogP-0.91
Rot. Bonds2

About CID 123292061

CID 123292061 (PubChem CID 123292061) has the molecular formula C10H15BO4 and a molecular weight of 210.04 g/mol.

Molecular Properties

Compound NameCID 123292061
PubChem CID123292061
Molecular FormulaC10H15BO4
Molecular Weight210.04 g/mol
Exact Mass210.11
IUPAC Name—
SMILES[B]C1OC(CO)C(O)C1(O)C=C=C(C)C
InChIInChI=1S/C10H15BO4/c1-6(2)3-4-10(14)8(13)7(5-12)15-9(10)11/h4,7-9,12-14H,5H2,1-2H3
InChIKeyYMMFAEXWUJPUBZ-UHFFFAOYSA-N
XLogP-0.91
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(1S,4R,5R,6R)-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-1,2,5,6-tetrol
CID 91393562
(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 58959143
(2S,3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
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(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-3-(3,3-difluoropropa-1,2-dienyl)-5-(hydroxymethyl)oxolane-3,4-diol
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1-[(2R,3R,4R,5R)-3-(3,3-difluoropropa-1,2-dienyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
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(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
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Frequently Asked Questions

What is the IUPAC name of CID 123292061?
The IUPAC name of CID 123292061 (CID 123292061) is not available.
What is the SMILES notation for CID 123292061?
The canonical SMILES for CID 123292061 is [B]C1OC(CO)C(O)C1(O)C=C=C(C)C.
What is the InChIKey of CID 123292061?
The InChIKey is YMMFAEXWUJPUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO4/c1-6(2)3-4-10(14)8(13)7(5-12)15-9(10)11/h4,7-9,12-14H,5H2,1-2H3.
What are the key properties of CID 123292061?
CID 123292061 has a molecular weight of 210.04 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123292061 is sourced from PubChem (CID 123292061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).