(2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol

C24H50O4Si — CID 11750793

IUPAC(2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol
SMILESCC(C)[Si](OC[C@@H](C)[C@@H]1CC[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)CO)O1)(C(C)C)C(C)C
InChIInChI=1S/C24H50O4Si/c1-15(2)29(16(3)4,17(5)6)27-14-20(9)22-12-11-18(7)24(28-22)21(10)23(26)19(8)13-25/h15-26H,11-14H2,1-10H3/t18-,19-,20+,21-,22-,23-,24-/m0/s1
InChIKeyVTXNWQIIUIKFRQ-JDAKRHAISA-N
MW430.75 g/mol
LogP5.62
Rot. Bonds11

About (2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol

(2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol (PubChem CID 11750793) has the molecular formula C24H50O4Si and a molecular weight of 430.75 g/mol. Its IUPAC name is (2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol
PubChem CID11750793
Molecular FormulaC24H50O4Si
Molecular Weight430.75 g/mol
Exact Mass430.35
IUPAC Name(2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol
SMILESCC(C)[Si](OC[C@@H](C)[C@@H]1CC[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)CO)O1)(C(C)C)C(C)C
InChIInChI=1S/C24H50O4Si/c1-15(2)29(16(3)4,17(5)6)27-14-20(9)22-12-11-18(7)24(28-22)21(10)23(26)19(8)13-25/h15-26H,11-14H2,1-10H3/t18-,19-,20+,21-,22-,23-,24-/m0/s1
InChIKeyVTXNWQIIUIKFRQ-JDAKRHAISA-N
XLogP5.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.75
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol?
The IUPAC name of (2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol (CID 11750793) is (2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol.
What is the SMILES notation for (2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol?
The canonical SMILES for (2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol is CC(C)[Si](OC[C@@H](C)[C@@H]1CC[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)CO)O1)(C(C)C)C(C)C.
What is the InChIKey of (2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol?
The InChIKey is VTXNWQIIUIKFRQ-JDAKRHAISA-N. The full InChI is InChI=1S/C24H50O4Si/c1-15(2)29(16(3)4,17(5)6)27-14-20(9)22-12-11-18(7)24(28-22)21(10)23(26)19(8)13-25/h15-26H,11-14H2,1-10H3/t18-,19-,20+,21-,22-,23-,24-/m0/s1.
What are the key properties of (2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol?
(2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol has a molecular weight of 430.75 g/mol, XLogP of 5.62, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol is sourced from PubChem (CID 11750793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).